Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T06455 | Target Info | |||
| Target Name | Cytochrome P450 2A6 (CYP2A6) | ||||
| Synonyms |
Cytochrome P450(I); Cytochrome P450 IIA3; Coumarin 7-hydroxylase; CYPIIA6; CYP2A6; CYP2A3
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| Target Type | Successful Target | ||||
| Gene Name | CYP2A6 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 76 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BAY 1021189
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Approved | Compound Info | ||
| Synonyms |
Vericiguat; 1350653-20-1; UNII-LV66ADM269; BAY-1021189; Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate; BAY1021189; LV66ADM269; MK-1242; Methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate; methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate; Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-5-yl)carbam
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
Saxagliptin
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Approved | Compound Info | ||
| Synonyms |
Onglyza; BMS 477118-11; BMS-477118; Kombiglyze XR (TN); OPC-262; Onglyza (TN); BMS-477118-11; (1S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-amino(3-hydroxytricyclo[3.3
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
Isoniazid
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Approved | Compound Info | ||
| Synonyms |
Abdizide; Andrazide; Anidrasona; Antimicina; Antituberkulosum; Armacide; Armazid; Armazide; Atcotibine; Azuren; Bacillen; Bacillin; Cedin; Cemidon; Chemiazid; Chemidon; Continazine; Cortinazine; Cotinazin; Cotinizin; Defonin; Dibutin; Diforin; Dinacrin; Ditubin; Ebidene; Eralon; Ertuban; Eutizon; Evalon; Fetefu; Fimalene; HIA; Hidranizil; Hidrasonil; Hidrulta; Hidrun; Hycozid; Hydra; Hydrazid; Hydrazide; Hyozid; Hyzyd; INH; Idrazil; Inah; Inizid; Iscotin; Isidrina; Ismazide; Isobicina; Isocid; Isocidene; Isocotin; Isohydrazide; Isokin; Isolyn; Isonerit; Isonex; Isoniacid; Isoniazida; Isoniazide; Isoniazidum; Isonicazide; Isonicid; Isonico; Isonicotan; Isonicotil; Isonicotinhydrazid; Isonicotinohydrazide; Isonide; Isonidrin; Isonikazid; Isonilex; Isonin; Isonindon; Isonirit; Isoniton; Isonizida; Isonizide; Isotamine; Isotebe; Isotebezid; Isotinyl; Isozid; Isozide; Isozyd; LANIZID; Laniazid; Laniozid; Mybasan; Neoteben; Neoxin; Neumandin; Nevin; Niadrin; Nicazide; Nicetal; Nicizina; Niconyl; Nicotibina; Nicotibine; Nicotisan; Nicozide; Nidaton; Nidrazid; Nikozid; Niplen; Nitadon; Niteban; Nydrazid; Nyscozid; Pelazid; Percin; Phthisen; Pycazide; Pyreazid; Pyricidin; Pyridicin; Pyrizidin; Raumanon; Razide; Retozide; Rimicid; Rimifon; Rimiphone; Rimitsid; Robiselin; Robisellin; Roxifen; Sanohidrazina; Sauterazid; Sauterzid; Stanozide; Tebecid; Tebemid; Tebenic; Tebexin; Tebilon; Tebos; Teebaconin; Tekazin; Tibazide; Tibemid; Tibiazide; Tibinide; Tibison; Tibivis; Tibizide; Tibusan; Tisin; Tisiodrazida; Tizide; Tubazid; Tubazide; Tubeco; Tubecotubercid; Tubercid; Tuberian; Tubicon; Tubilysin; Tubizid; Tubomel; Tyvid; Unicocyde; Unicozyde; Vazadrine; Vederon; Zidafimia; Zinadon; Zonazide; Hid rasonil; Isoco tin; Isoniazid SA; Isozid e; Nidra zid; Rimif on; BP 5015; Bp 5 015; FSR 3; I0138; INHd20; L 1945; Nitebannsc 9659; Preparation 6424; RP 5015; AZT + Isoniazid; Cedin (Aerosol); Dow-Isoniazid; FRS-3; FSR-3; Ido-tebin; In-73; Inh-Burgthal; Isoniazid & EEP; Isoniazid & Propolis; Laniazid (TN); Neo-Tizide; Nydrazid (TN); RP-5015; TB-Phlogin; TB-Razide; TB-Vis; Usaf cb-2; I.A.I; RU-EF-Tb; RY-EF-Tb; I.A.I.
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| Activity |
Ki = 60000 nM
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[3] | |||
| Compound Name |
Dolutegravir
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Approved | Compound Info | ||
| Synonyms |
1051375-16-6; GSK1349572; Tivicay; S/GSK1349572; Dolutegravir (GSK1349572); S-349572; GSK-1349572; GSK 1349572; UNII-DKO1W9H7M1; (4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-Carboxamide; CHEBI:76010; DKO1W9H7M1; Tivicay (TN); (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide; Dolutegravir Sodium (
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Nicotine
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Approved | Compound Info | ||
| Synonyms |
Habitrol; Micotine; NCT; NICOTINE AND SALTS; Nicoderm Patch; Nicotina [Italian]; Nicotine Patch; Nicotine [USAN]; Nicotine replacement patch; Nicotine solution; Nictoine patch; Nikotin [German]; Nikotyna [Polish]; Transdermal Nicotine; Nicotine [UN1654] [Poison]; ENT 3,424; Habitrol (TN); Nicorette (TN); Nicotine (USP); Nicotine (compounds related to); Nicotine [BSI:ISO]; L(-)-nicotine; Beta-Pyridyl-alpha-N-methyl pyrrolidine; (-)-Nicotine solution; (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; (S)-(-)-Nicotine; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; (S)-Nicotine; 3-(2-(N-methylpyrrolidinyl))pyridine; 3-(N-Methylpyrollidino)pyridine; 3-(N-Methylpyrrolidino)pyridine; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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| Activity |
Ki = 130000 nM
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[5] | |||
| Compound Name |
Tetra-hydro-oxazolopyridine derivative 3
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Patented | Compound Info | ||
| Synonyms |
PMID28067079-Compound-63
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
Tariquidar
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Discontinued in Phase 2 | Compound Info | ||
| Synonyms |
Tariquidarth; XR 9576; XR9576; Tariquidar (USAN/INN); N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide; N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
2-(3,4-Dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran
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Investigative | Compound Info | ||
| Synonyms |
DWK-1339; UNII-WN8TEM4Q1F; MDR-1339; WN8TEM4Q1F; CHEMBL4066961; SNU-0039; 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl) benzofuran; Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-; SCHEMBL3002082; BCP34010; EX-A1942; BDBM50250939; ZB1549; HY-14503; CS-0003407; Q27292735; 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
(3r,4r)-4-[4-Cyclopropyl-5-[3-(2-Methylpropyl)cyclobutyl]-1,2,4-Triazol-3-Yl]-N-(2,4-Dimethylphenyl)-1-Ethanoyl-Pyrrolidine-3-Carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774855; SCHEMBL17761865; SCHEMBL17762388; BDBM50153594; J3.591.555I
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| Activity |
IC50 ~ 50000 nM
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[9] | |||
| Compound Name |
4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
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Investigative | Compound Info | ||
| Synonyms |
CCT128930; CCT-128930; CCT 128930; CHEMBL263664; 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine; C18H20ClN5; 4-[(4-chlorophenyl)methyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-amine; cc-512; MLS006010998; SCHEMBL1002126; DTXSID80590818; HMS3656J07; HMS3750O13; BCP02903; BDBM50237622; MFCD13177916; s2635; ZINC16052630; AKOS025395962; AM86141; BCP9000496; CCG-267939; CS-0473; SB19264; 4-((4-chlorophenyl)methyl)-1-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-4-piperidinamine; NCGC00346621-01; NCGC00346621-02; NCGC00346621-05; AC-32074; HY-13260; SMR004702796; BCP0726000272; SW218209-2; X7446; L-1965; US8796293, 17; J-513161; 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-; 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylamine
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| Activity |
IC50 ~ 50000 nM
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[10] | |||
| Compound Name |
CID 44123747
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1819090; SCHEMBL162310; BDBM50351402
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| Activity |
IC50 ~ 50000 nM
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[11] | |||
| Compound Name |
6-Chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine
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Investigative | Compound Info | ||
| Synonyms |
CCT241736; CHEMBL2207503; SCHEMBL17092840; BDBM247371; BCP29563; EX-A1838; BDBM50401421; HY-18161; CCT 241736 pound>>CCT-241736; CS-0007372; US9447092, 1
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| Activity |
IC50 ~ 50000 nM
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[12] | |||
| Compound Name |
US9447092, Comparator 1, Example 56
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL211667; CHEMBL3898132; BDBM247367; 6-bromo-2-(1-methylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
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| Activity |
IC50 ~ 50000 nM
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[12] | |||
| Compound Name |
(3-Fluorophenyl)-[2-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4102181; BDBM50261310
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
2-[(3R)-3-Aminopiperidin-1-yl]-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2147070
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| Activity |
IC50 ~ 50000 nM
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[13] | |||
| Compound Name |
3-((4-(6-Chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2207500; SCHEMBL17092838; BDBM247369; BDBM50401434; US9447092, 2
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| Activity |
IC50 ~ 50000 nM
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[12] | |||
| Compound Name |
US9447092, Comparator 2, Example 57
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL211666; CHEMBL3891461; BDBM247368
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| Activity |
IC50 ~ 50000 nM
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[12] | |||
| Compound Name |
3-((4-(6-Chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methyl-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2207501; SCHEMBL17092832; BDBM247370; BDBM50401429; US9447092, 3
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| Activity |
IC50 ~ 50000 nM
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[12] | |||
| Compound Name |
Chembl4128835
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Investigative | Compound Info | ||
| Synonyms |
BDBM50272591
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| Activity |
IC50 ~ 50000 nM
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[14] | |||
| Compound Name |
[2-(5-Fluoropyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4060556; BDBM50261325
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
Chembl4276719
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Investigative | Compound Info | ||
| Synonyms |
BDBM50467582
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| Activity |
IC50 ~ 50000 nM
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[15] | |||
| Compound Name |
CID 57519510
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Investigative | Compound Info | ||
| Synonyms |
SR-3306; CHEMBL2144409; MLS006012045; SCHEMBL3750574; BDBM50059654; ZINC72317307; SB17012; NCGC00263146-01; HY-12829; SMR004703567
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| Activity |
IC50 ~ 50000 nM
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[16] | |||
| Compound Name |
2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile
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Investigative | Compound Info | ||
| Synonyms |
2-(5-chloro-1-benzothiophen-3-yl)acetonitrile; 5-CHLOROTHIANAPHTHENE-3-ACETONITRILE; CHEMBL3358212; 5-CHLOROBENZO[B]THIOPHENE-3-ACETONITRILE; 2-(5-chlorobenzo[b]thiophen-3-yl)ethanenitrile; SCHEMBL2947128; CTK4F2285; DTXSID50381578; Benzoic acid, 2,3,6-tribromo-; ZINC162018; STR06146; BDBM50037883; MFCD00052508; SBB093943; AKOS024015244; MCULE-6510801199; (5-chloro-1-benzothien-3-yl)acetonitrile; 5-Chlorobenzo [b] thiophene-3-acetonitrile; Benzo[b]thiophene-3-acetonitrile,5-chloro-; (5-Chloro-1-benzothiophen-3-yl)acetonitrile; FT-0620311; ST50406833; 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile, AldrichCPR
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| Activity |
IC50 = 51000 nM
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[17] | |||
| Compound Name |
1-Tetralone
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Investigative | Compound Info | ||
| Synonyms |
alpha-Tetralone; 3,4-dihydronaphthalen-1(2H)-one; 1,2,3,4-Tetrahydronaphthalen-1-one; 3,4-Dihydro-2H-naphthalen-1-one; 3,4-Dihydro-1(2H)-naphthalenone; tetralone; a-Tetralone; 1-Oxotetralin; 1(2H)-Naphthalenone, 3,4-dihydro-; 1,2,3,4-Tetrahydro-1-naphthalenone; .alpha.-Tetralone; MFCD00001688; 2,3,4-trihydronaphthalen-1-one; NSC 5171; UNII-6VT52A15HY; 6VT52A15HY; CHEMBL193373; alpha-Tetralone, 98%; 3,4-Dihydronaphthalen-1-one; tetralin-1-one; HSDB 5678; EINECS 208-460-6; BRN 0607374; alpha tetralone; AI3-19569; EINECS 249-394-8; PubChem13786; alpha-Tetralone, 97%; DSSTox_CID_7175; DSSTox_RID_78335; DSSTox_GSID_27175; SCHEMBL44545; WLN: L66 BVT&J; 4-07-00-01015 (Beilstein Handbook Reference); KSC236A7H; ALPHA-TETRALONE-13C6; 1,2,3,4-Tetrahydronaphthalone; 3,4-dihydro-2H-naphth-1-one; DTXSID2027175; NSC5171; Phenylbutyrate Related Compound B; 3,4-dihydro-1(2H)naphthalenone; 3,4-dihydro-1(2H)-napthalenone; 1,3,4-Tetrahydronaphthalen-1-one; CS-D0598; KS-000002MI; NSC-5171; STR03237; ZINC3860775; 3,4-Dihydro-1(2H)-naphthaleneone; 3,4-dihydro-1-(2h)-naphthalenone; Tox21_200446; 3,4-Dihydronaphthalen-1-(2H)-one; ANW-31592; BBL027352; BDBM50159254; CT0061; SBB066987; STK400014; 1,2,3,4-tetrahydronaphthalene-1-one; AKOS000119475; CYCLOHEXENE,1-ONE,2,3-BENZO; 1,2,3,4-Tetrahydro-1-oxonaphthalene; 1-Oxo-1,2,3,4-tetrahydronaphthalene; AC-6869; MCULE-2380271774; NCGC00248620-01; NCGC00258000-01; AK-43970; AT-15236; SC-25802; SY001538; alpha-Tetralone, purum, >=96.0% (GC); DB-000666; FT-0608314; FT-0649303; FT-0675085; ST50646215; M-7231; A829314; Q522228; F0001-1364; Z1250132489
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| Activity |
IC50 = 51999.6 nM
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[18] | |||
| Compound Name |
1-Benzofuran-2-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
benzofuran-2-carbonitrile; 2-Cyanobenzofuran; Coumarilonitrile; 2-BENZOFURANCARBONITRILE; CHEMBL3358217; BRN 0116663; cyano-benzofuran; benzofurancarbonitrile; benzo[b]furan-2-carbonitrile; KSC235S1H; SCHEMBL846924; CTK1D5913; DTXSID20194516; ZINC122171; ALBB-031765; EBD54970; KS-00000N0H; ANW-52259; BDBM50037879; MFCD01659779; AKOS002679701; MCULE-3653069529; AK-23549; BR-23549; DS-10470; ST012281; AB0003279; DB-081423; FT-0649576; W6191; EN300-53426; S-3646; J-519739; Z803145620
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| Activity |
IC50 = 52000 nM
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[17] | |||
| Compound Name |
6-Bromoindole-3-carboxaldehyde
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Investigative | Compound Info | ||
| Synonyms |
6-Bromo-1H-indole-3-carbaldehyde; 6-bromoindole-3-carbaldehyde; 1H-Indole-3-carboxaldehyde, 6-bromo-; 6-Bromo-3-formylindole; 6-bromo-1H-indole-3-carboxaldehyde; MFCD00792689; CHEMBL3358229; PubChem7691; ACMC-209ee9; KSC536O3D; AMBZ0429; SCHEMBL1081911; CTK4D6731; WCCLQCBKBPTODV-UHFFFAOYSA-; DTXSID10383452; 6-bromo-1H-indol-3-carbaldehyde; 6-BROMINDOL-3-CARBALDEHYDE; ACN-S002826; KS-00000J0H; ZINC2569373; 6-bromanyl-1H-indole-3-carbaldehyde; ANW-22927; BBL029018; BDBM50037783; GEO-00485; SBB005309; STK934860; 1H-Indole-3-carboxaldehyde,6-bromo-; 6-Bromoindole-3-carboxaldehyde, 97%; AKOS005259128; AB07122; AM86043; MCULE-9822277839; Methyl 7-benzyloxyindole-2-carboxylate; PS-3556; NCGC00338460-01; AC-18164; AC-24833; AK-84448; BC003267; SC-01866; SY017962; AB0009805; DB-026384; B2778; FT-0637607; C-1252; AB01331264-02; 826B049; A812351
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| Activity |
IC50 = 57000 nM
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[17] | |||
| Compound Name |
6-Methyl-2,3'-bipyridine
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Investigative | Compound Info | ||
| Synonyms |
2,3'-Bipyridine, 6-methyl-; CHEMBL368048; 6-Methyl-2,3-bipyridine; 6-Methyl-[2,3']Bipyridinyl; SCHEMBL3609216; CTK2G5602; 2-methyl-6-pyridin-3-ylpyridine; DTXSID70559191; 6-Methyl-[2,3'''']bipyridinyl; 2-methyl-6-(pyridin-3-yl)pyridine; BDBM50158917; ZINC13607107; AK671420; US8609708, 67
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| Activity |
IC50 = 58900 nM
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[19] | |||
| Compound Name |
1,4-Dibromobenzene
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Investigative | Compound Info | ||
| Synonyms |
P-DIBROMOBENZENE; Benzene, 1,4-dibromo-; p-Bromophenyl bromide; Benzene, p-dibromo-; 1,4-dibromo benzene; p-benzene dibromide; 1,4-dibromo-benzene; MFCD00000089; UNII-9991W3M5HZ; DIBROMOBENZENE, 1,4-; CHEMBL195407; 9991W3M5HZ; LABOTEST-BB LTBB002071; DSSTox_CID_4012; DSSTox_RID_77257; DSSTox_GSID_24012; 1,4-Dibromobenzene, 99%; HSDB 2734; EINECS 203-390-2; NSC 33942; AI3-09077; p-dibromo benzene; 1,4dibromobenzene; NSC33942; p-Bromophenylbromide; 1,4 dibromobenzene; 1.4-dibromobenzene; 2,5-dibromobenzene; Benzene,4-dibromo-; Cbz-S-Phenyl-D-Cys; PubChem10875; ACMC-1BUWT; SCHEMBL18508; 1,4-Dibromobenzene, 98%; KSC492Q5H; DTXSID4024012; CTK3J2853; ZINC388500; ACT03271; BCP25859; KS-000001IZ; STR05757; Tox21_201288; Tox21_303156; ANW-15339; BDBM50159245; NSC-33942; STL283947; AKOS000119954; AS05688; CM12170; DF10073; MCULE-3811652101; NE10002; NCGC00163984-01; NCGC00163984-02; NCGC00257201-01; NCGC00258840-01; AK-77031; BC003566; BP-10917; SC-25669; CS-0000003; D0170; D0297; FT-0606853; 1,4-Dibromobenzene, purum, >=97.0% (GC); 14608-EP2272828A1; 14608-EP2284159A1; 14608-EP2287940A1; 14608-EP2292618A1; 14608-EP2316836A1; J-503983; Q4545692; F0001-0117; Z1262254394; UNII-Q5L1S3J96A component SWJPEBQEEAHIGZ-UHFFFAOYSA-N
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| Activity |
IC50 = 59000 nM
|
[20] | |||
| Compound Name |
(8)-Gingerol
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Investigative | Compound Info | ||
| Synonyms |
8-Gingerol; [8]-Gingerol; UNII-LB0IJB138K; (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one; LB0IJB138K; (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone; CHEMBL1095671; MFCD00877794; (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one; 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-; (S)-(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone; 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-; SCHEMBL16488703; CTK4F1632; DTXSID20178078; HMS3887A05; [8]-Gingerol, analytical standard; HY-N0447; ZINC1537498; BDBM50317426; CG0024; s9434; [8]-Gingerol, >=95% (HPLC); AKOS025311538; CCG-267732; AS-71132; CS-0008980; N1448; V2321; 3,3-DIMETHOXYESTR-5(10)-ENE-17BOL; A14476; C17495; 462G352; Q-100299; Q27155091; (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) dodecan-3-one; 3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
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| Activity |
IC50 = 59000 nM
|
[21] | |||
| Compound Name |
1-Methylisoquinoline
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Investigative | Compound Info | ||
| Synonyms |
Isoquinaldine; Isoquinoline, 1-methyl-; 1-Methyl-isoquinoline; Isoquinoline, methyl-; UNII-Z96HOX9RT9; MFCD00006902; Z96HOX9RT9; CHEMBL364698; methylisoquinoline; EINECS 217-017-6; 1-methyl isoquinoline; NSC 101175; PubChem17034; Isoquinoline,1-methyl-; ACMC-1BOLB; Methylisoquinoline; 97%; 1-Methylisoquinoline, 97%; SCHEMBL70488; CTK0H9246; KS-00000ZIL; DTXSID20870904; BCP30416; ZINC1667772; ANW-75354; BDBM50159268; NSC101175; SBB056020; AKOS015842462; EBD2220418; NSC-101175; QC-9382; VQ10056; Isoquinoline, 1-methyl- (8CI)(9CI); BP-12703; BR-60599; SC-82600; TS-01867; AB0022812; DB-000536; Isoquinoline, methyl-;1-methyl isoquinoline; A8945; FT-0633794; M0298; ST50950056; W3747; S-2009; 721M933; A811385; J-505001; BRD-K02603382-001-01-0; Q27216088
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| Activity |
IC50 = 59979.11 nM
|
[18] | |||
| Compound Name |
2,3-Dichloronaphthalene
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Investigative | Compound Info | ||
| Synonyms |
Naphthalene, 2,3-dichloro-; 2,3-Dichloro-naphthalene; CHEMBL364705; EINECS 218-102-0; 2,3-Dichlornaphthalin; 2,3-Dichlor-naphthalin; PCN-10; SCHEMBL7905169; DTXSID9062140; CTK1A6820; BDBM50159244; MFCD09037604; AKOS006330957; SY272623
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| Activity |
IC50 ~ 60000 nM
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[20] | |||
| Compound Name |
3-(3-Thienylethynyl)-pyridine
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Investigative | Compound Info | ||
| Synonyms |
3-(2-thiophen-3-ylethynyl)pyridine; 3-(3-thienylethynyl)pyridine; SCHEMBL4257296; CHEMBL3640779; 3-[(3-Thienyl)ethynyl]pyridine; BDBM109770; US8609708, 68
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| Activity |
IC50 = 61200 nM
|
[19] | |||
| Compound Name |
(5-Pyridin-3-yloxolan-2-yl)methanol
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Investigative | Compound Info | ||
| Synonyms |
US8609708, 69; SCHEMBL3604205; CHEMBL3640780; BDBM109771
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| Activity |
IC50 = 61400 nM
|
[19] | |||
| Compound Name |
2-Methoxynaphthalene
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Investigative | Compound Info | ||
| Synonyms |
Naphthalene, 2-methoxy-; Yara yara; Methyl 2-naphthyl ether; 2-Naphthyl methyl ether; Yura yara; Yara-Yara; beta-Naphthyl methyl ether; 2-Naphthol methyl ether; Nerolin (old); 2-methoxy naphthalene; 2-Methoxy-naphthalene; beta-Methoxynaphthalene; beta-Naphthol mether ether; beta-Naphthol methyl ether; Methyl beta-naphthyl ether; .beta.-Methoxynaphthalene; NSC 4171; UNII-VX2T1Z50C4; Naproxen EP Impurity M; MFCD00004061; .beta.-Naphthol methyl ether; .beta.-Naphthyl methyl ether; Methyl .beta.-naphthyl ether; CHEMBL195857; VX2T1Z50C4; 2-Methoxynaphthalene, 98%; 2-NAPHTHOL METHYL ETHER;2-NAPHTHYL METHYL ETHER; EINECS 202-213-6; 2-Methoxynaphthalene-1-D; 2-Methoxynaphthalene-6-D; AI3-21213; Jara jara; Nerolin Yara Yara; 2-methoxynaphtalene; 2-methoxynapthalene; Neroline Yara Yara; 6-methoxynaphthalene; b-naphthyl methyl ether; beta -Methoxynaphthalene; EC 202-213-6; beta -Naphthol methyl ether; beta -Naphthyl methyl ether; Methyl beta -naphthyl ether; 2-Methoxynaphthalene, 99%; DSSTox_CID_24392; DSSTox_RID_80193; DSSTox_GSID_44392; KSC486M8L; 2-Methoxynaphthalene(Nerolin); SCHEMBL112792; Nerolin Yara Yara, >=99%; ACMC-20978e; 2-Methoxynaphthalene, >=99%; DTXSID7044392; SCHEMBL10250691; CTK3I6685; NSC4171; ZINC967412; KS-00000N4L; NSC-4171; Tox21_302143; ANW-13644; BDBM50159258; MFCD31699956; MFCD31699957; SBB060603; AKOS008947868; AC-4741; CS-W010895; DS-4954; MCULE-8210517299; NE10294; NCGC00255953-01; AK110812; SC-46738; SY246288; SY246289; DB-014139; FT-0612855; M0117; ST50824686; A844431; AF-676/00077048; J-509867; Q2240068; 2-Methoxynaphthalene, pharmaceutical impurity standard; Z53835290
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| Activity |
IC50 = 61944.11 nM
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[18] | |||
| Compound Name |
3-(2H-Tetrazol-5-yl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
5-(3-Pyridyl)-1H-Tetrazole; 5-(3-Pyridyl)tetrazole; 3-(1H-tetrazol-5-yl)pyridine; 3-(2H-TETRAZOL-5-YL)-PYRIDINE; UNII-ZC84PPS834; MFCD00040281; Pyridine, 3-(2H-tetrazol-5-yl)-; CHEMBL179365; ZC84PPS834; 5-(3-Pyridyl)-1(H)-tetrazole; Pyridyl-3-tetrazole; P 5722; 3-(2H-1,2,3,4-tetrazol-5-yl)pyridine; ACMC-1CS6Q; 5-(3-pyridyl)-tetrazole; EC 426-810-8; 3-(5-Tetrazolyl) pyridine; MLS000056031; SCHEMBL333251; cid_151091; 3-(1H-tetraazol-5-yl)pyridine; CTK5J6617; DTXSID50186227; 5-(Pyridin-3-yl)-1H-tetrazole; BDBM109776; HMS1623H04; HMS2356F07; ZINC156162; KS-00000K2X; 3-[1(2)H-Tetrazol-5-yl]pyridine; ANW-56009; BBL038189; Pyridine, 3-(1H-tetrazol-5-yl)-; SBB013381; STK300040; AKOS000262512; AKOS000310223; 5-(3-Pyridyl)-1H-tetrazole, 97%; AB06698; MCULE-6281363833; AK-44334; DS-13282; SMR000068460; ST086625; 5-(3-pyridyl)-1H-1,2,3,4-tetraazole; 5-(3-pyridyl)-2H-1,2,3,4-tetraazole; DB-048229; FT-0613493; X6712; EN300-12753; MLS-0091926.0001; Z-1455; US8609708, 85; J-018765; Q27295302; Z85921969
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| Activity |
Ki = 64800 nM
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[22] | |||
| Compound Name |
[5-(4-Methylthiophen-3-yl)pyridin-3-yl]methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640781; SCHEMBL13035312; BDBM109772; US8609708, 70
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| Activity |
IC50 = 65000 nM
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[19] | |||
| Compound Name |
Pyridine, 3-methyl-5-(3-methyl-2-thienyl)-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL179962; SCHEMBL3610326; BDBM50158944; 3-methyl-5-(3-methylthiophen-2-yl)pyridine; 3-Methyl-5-(3-methyl-thiophen-2-yl)-pyridine; US8609708, 71
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| Activity |
IC50 = 66000 nM
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[19] | |||
| Compound Name |
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL361969; SCHEMBL3618712; 2-Thiophenemethanamine, N,N-dimethyl-5-(3-pyridinyl)-; BDBM12344; N,N-dimethyl-1-(5-pyridin-3-ylthiophen-2-yl)methanamine; nicotine 3-heteroaromatic analogue 1c; US8609708, 75; N,N-dimethyl(5-(pyridin-3-yl)thiophen-2-yl)methanamine
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| Activity |
Ki = 66500 nM
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[23] | |||
| Compound Name |
Pyridine, 2-methoxy-5-(3-methyl-2-thienyl)-
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Investigative | Compound Info | ||
| Synonyms |
2-methoxy-5-(3-methylthiophen-2-yl)pyridine; SCHEMBL956935; CHEMBL359672; BDBM109777; ZINC13607074; MCULE-7001420911; 2-Methoxy-5-(3-methyl-thiophen-2-yl)-pyridine; US8609708, 86
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| Activity |
Ki ~ 67000 nM
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[22] | |||
| Compound Name |
3-(Tetrazol-1-yl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
MLS-0091924.0001; 3-(1-tetrazolyl)pyridine; 3-Tetrazol-1-yl-pyridine; 1-(3-Pyridyl)-1H-tetrazole; CHEMBL179366; SCHEMBL3612710; 3-(1H-tetrazol-1-yl)pyridine; BDBM45888; CTK8H0153; cid_11217334; ZINC13607177; AKOS006227842; 3-(1,2,3,4-tetrazol-1-yl)pyridine; 3-(1H-1,2,3,4-tetrazol-1-yl)pyridine
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| Activity |
Ki ~ 67000 nM
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[22] | |||
| Compound Name |
5-(Pyridin-3-yl)furan-2-carbaldehyde
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Investigative | Compound Info | ||
| Synonyms |
5-pyridin-3-yl-2-furaldehyde; 5-pyridin-3-ylfuran-2-carbaldehyde; 2-Furancarboxaldehyde, 5-(3-pyridinyl)-; 5-(3-Pyridyl)furfural; CHEMBL178708; SCHEMBL2323648; CTK4I0207; DTXSID20480820; BDBM109778; 5-(3-pyridyl)furan-2-carbaldehyde; ZINC12480833; AKOS000125204; MCULE-3258067454; NE53931; NCGC00324239-01; AC-17586; EN300-35626; AB01319622-02; US8609708, 87; F2167-0879
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| Activity |
Ki ~ 67000 nM
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[22] | |||
| Compound Name |
Dimethyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL180270; 2-Propyn-1-amine, N,N-dimethyl-3-(3-pyridinyl)-; SCHEMBL3619456; BDBM12350; nicotine 3-heteroaromatic analogue 3c; N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine; US8609708, 76; N,N-Dimethyl-3-(3-pyridinyl)-2-propyne-1-amine; N,N-dimethyl-3-(pyridin-3-yl)prop-2-yn-1-amine
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| Activity |
Ki = 67500 nM
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[23] | |||
| Compound Name |
5-Bromo-1-benzofuran-2-carbaldehyde
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Investigative | Compound Info | ||
| Synonyms |
5-bromobenzofuran-2-carbaldehyde; 5-Bromobenzo[b]furan-2-carbaldehyde; 5-bromo-2-formylbenzofuran; 5-bromo-2-benzofurancarboxaldehyde; CHEMBL3358218; 2-Benzofurancarboxaldehyde, 5-bromo-; 5-bromo-1-benzofuran-2-carboxaldehyde; 5-Bromo-benzofuran-2-carbaldehyde; PubChem10165; ACMC-1CJL8; SCHEMBL14761372; CTK4F0962; DTXSID10383755; ZINC4277336; 2-Benzofurancarboxaldehyde,5-bromo-; ANW-25061; BDBM50037878; MFCD06659072; SBB096768; STK925186; 5-bromobenzo[b]furan-2-carboxaldehyde; AKOS002255272; MB03958; MCULE-2126498393; 5-bromanyl-1-benzofuran-2-carbaldehyde; AS-62745; BC003509; SC-50237; BB 0260667; CS-0021444; FT-0663644; ST50472030; Y8365; EN300-77403; K-6384; 5-bromo-1-benzofuran-2-carbaldehyde, AldrichCPR; A816589; W-206817; F2106-0205
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| Activity |
IC50 = 72000 nM
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[17] | |||
| Compound Name |
Indole-3-carboxaldehyde
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Investigative | Compound Info | ||
| Synonyms |
1H-Indole-3-carbaldehyde; 3-Formylindole; 1H-Indole-3-carboxaldehyde; Indole-3-carbaldehyde; Indole-3-aldehyde; 3-Indolecarboxaldehyde; INDOLE-3-CARBOXYALDEHYDE; Indol-3-carboxaldehyde; beta-Indolylaldehyde; 3-Indolecarbaldehyde; 3-Indolealdehyde; Indol-3-carbaldehyde; UNII-7FN04C32UO; MFCD00005622; NSC 10118; .beta.-Indolylaldehyde; 1H-indole-3-aldehyde; 7FN04C32UO; CHEMBL147741; Indole-3-carboxaldehyde, 97%; Indole-3-carboxaldehyde (3-Formylindole); 1H-indol-3-carbaldehyde; 3-Formylindol; 3-indolemethanal; Indol-3-carbaldehyd; 3-Formyl-1H-indole; EINECS 207-665-8; BRN 0114117; AI3-52407; b-Indolylaldehyde; 3-formyl indole; 3-formyl-indole; A-Indolylaldehyde; Indol-3-aldehyde; 3-indole aldehyde; indolyl-3-aldehyde; 3-indolylformaldehyde; PubChem7247; indole-3-carboaldehyde; indole 3-carboxaldehyde; I3CHO; 1H-indole-3-carbaldehyd; Indole-3- carboxaldehyde; h-indole-3-carboxaldehyde; indole-3-carboxy-aldehyde; ACMC-1AJZ9; 1H-Indole-3-carboxaldehde; bmse000645; SCHEMBL56373; 5-21-08-00246 (Beilstein Handbook Reference); KSC235E7B; DTXSID5060069; CTK1D5270; OLNJUISKUQQNIM-UHFFFAOYSA-; ZINC87959; ACN-S002805; ACT03589; BCP00081; KS-000000PW; NSC10118; AM1029; ANW-30696; BBL009350; BDBM50182880; NSC-10118; SBB004120; STK387546; AKOS000119898; CS-W007376; HY-W007376; MCULE-6521465109; PS-5323; SB14957; VI30397; NCGC00161738-01; NCGC00161738-02; AC-23425; AK-49824; BR-49824; SC-04781; ST098646; DB-011568; BB 0242392; FT-0615872; FT-0652575; FT-0670335; I0027; 87I898; C08493; I-2200; M-6223; 82648-EP2298758A1; 82648-EP2298759A1; 82648-EP2305664A1; AB00443651-03; Indole-3-carboxaldehyde, purum, >=98.0% (T); A827605; AG-205/01412034; CU-00000000108-1; Q27103575; F0918-0115
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| Activity |
IC50 = 79000 nM
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[17] | |||
| Compound Name |
5-Pyridin-3-yl-furan-2-carbaldehyde oxime
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640785; BDBM50158921; US8609708, 24; US8609708, 39; US8609708, 72; 5-Pyridin-3-yl-furan-2-carbaldehyde oxime; compound with 5-pyridin-3-yl-furan-2-carbaldehyde oxime
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| Activity |
IC50 = 82300 nM
|
[19] | |||
| Compound Name |
Shogaol
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Investigative | Compound Info | ||
| Synonyms |
6-Shogaol; [6]-Shogaol; (6)-Shogaol; enexasogaol; Trans-6-Shogaol; (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; UNII-83DNB5FIRF; 1-(4-Hydroxy-3-methoxyphenyl)-4-decen-3-one; 1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; Shogaol (6-Shogaol); 83DNB5FIRF; CHEMBL25948; (4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; CCRIS 2038; 6-Shogaol (constituent of ginger) [DSC]; SCHEMBL49054; (E)-1-(4-Hydroxy-3- methoxyphenyl)dec-4-en-3-one; GTPL9773; MEGxp0_001217; Shogaol, >=90% (HPLC); 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (E); ACon1_001190; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (4E)-; [6]-Shogaol, analytical standard; ZINC1531865; BDBM50237536; BDBM50240419; MFCD01736094; NSC752389; AKOS015888385; CCG-267210; CS-6175; MCULE-3275039845; NSC-752389; NCGC00169591-01; AS-55975; HY-14616; SC-19590; N2449; S9043; X1222; Y8376; A14648; C10494; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl); 555S668; Q-100639; Q2746448; W-206831; BRD-K23331196-001-01-9; (E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one; [(E)-1-(4-hydroxy-3-methoxyphenyl)-dec-4-en-3-one]; 1-(4-Hydroxy-3-methoxyphenyl)-4-dodecen-3-one, 9CI
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| Activity |
IC50 = 83300 nM
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[21] | |||
| Compound Name |
5-Chloro-3-methylbenzo[b]thiophene
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Investigative | Compound Info | ||
| Synonyms |
5-chloro-3-methylthianaphthene; 5-Chloro-3-methyl benzo[b]thiophene; 5-chloro-3-methyl-1-benzothiophene; 5-chloro-3-methylbenzothiophene; CHEMBL3358213; MFCD00052506; 5-chloro-3-methylbenzo(b)thiophene; 5-Chloro-3-methylbenzo[b]thiophene, 97%; 4-Methylthio phenol; NSC248678; zlchem 217; PubChem7372; ACMC-209exr; Maybridge1_005366; SCHEMBL167540; CTK3J1459; HMS556L20; DTXSID40311985; ZLC0024; ZINC162004; 3-Methyl-5-chlorobenzo[b]thiophene; ACT05964; KS-000012CE; 5-chloro-3-methyl-benzo[b]thiophene; 5-chloro-3-methylbenzo-[b]thiophene; ANW-23629; BDBM50037882; GEO-00711; MWP 00002; SBB089968; 5-chloro-3-methyl benzo[b] thiophene; AKOS005199259; MCULE-2062684193; NSC-248678; QC-7343; SB14690; VZ30238; AC-16546; AS-17324; BR-45700; AB0002637; DB-032349; FT-0620291; ST50406858; M-2561; 5-Chloro-3-methyl-1-benzothiophene, AldrichCPR; 404C183; J-517355
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| Activity |
IC50 = 88000 nM
|
[17] | |||
| Compound Name |
Phenanthrene
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Investigative | Compound Info | ||
| Synonyms |
Phenanthren; Phenanthrin; Phenanthracene; Ravatite; UNII-448J8E5BST; MFCD00001168; CHEMBL46730; 448J8E5BST; NSC-26256; Phenanthrene, 97%; Phenantrin; DSSTox_CID_4254; DSSTox_RID_77342; DSSTox_GSID_24254; Phenanthren [German]; Phenanthrene, pure; CCRIS 1233; HSDB 2166; EINECS 201-581-5; NSC 26256; phenanthroline;; AI3-00790; 9-Phenanthrene; phenanthrene-ring; Phenanthrene, 98%; ACMC-20ajxi; Coal tar pitch volatiles: phenanthrene; Phenanthrene-[U-13C]; 9,10-Dehydrophenanthrene; bmse000560; KSC146C5L; MLS002454437; WLN: L B666J; DTXSID6024254; HMS2268O22; ZINC967819; HY-B1727; KS-00000F9Y; NSC26256; Tox21_201638; Tox21_300573; BDBM50159266; SBB058516; STL453632; AKOS008967330; EBD2205101; MCULE-8033936622; Phenanthrene, zone-refined, >=99.5%; NCGC00091177-01; NCGC00091177-02; NCGC00091177-03; NCGC00091177-04; NCGC00254398-01; NCGC00259187-01; Phenanthrene, sublimed grade, >=99.5%; AC-11346; AK113960; AS-12847; Phenanthrene 10 microg/mL in Cyclohexane; SC-18157; SMR000112025; Phenanthrene 10 microg/mL in Acetonitrile; DB-043112; Phenanthrene 100 microg/mL in Acetonitrile; CS-0013733; FT-0631391; FT-0633623; FT-0673667; FT-0673668; P0079; P0331; P1310; ST50827630; C11422; Phenanthrene Zone Refined (number of passes:30); A841054; Q422037; 5-Amino-6-chloro-3-pyridinecarboxylicacidmethylester; W-104097; Phenanthrene, certified reference material, TraceCERT(R); Phenanthrene, purum, for fluorescence, >=97.0% (HPLC); UNII-0TNN3Q0D4D component YNPNZTXNASCQKK-UHFFFAOYSA-N; Phenanthrene, analytical standard, for environmental analysis; Phenanthrene solution, 100 mug/mL in cyclohexane, analytical standard; Phenanthrene solution, certified reference material, 5000 mug/mL in methanol
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| Activity |
IC50 = 97000 nM
|
[20] | |||
| Compound Name |
(10)-Gingerol
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Investigative | Compound Info | ||
| Synonyms |
10-Gingerol; [10]-Gingerol; (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone; UNII-ND6ZLI4J0V; ND6ZLI4J0V; (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one; CHEMBL549472; (S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone; MFCD01682694; 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one; 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-; 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-; SCHEMBL16488702; CTK4F1633; (+)-(S)-[10]-Gingerol; DTXSID80178079; HY-N0448; [10]-Gingerol, analytical standard; BDBM50317425; CG0019; s9091; ZINC43009609; AKOS015888437; AC-1446; CCG-268037; [10]-Gingerol, >=95% (HPLC); AS-71715; SC-82577; CS-0008981; N1447; C17496; 513G157; Q-100301; Q27155092; (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
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||||
| Activity |
IC50 = 98300 nM
|
[21] | |||
| Compound Name |
N-(2-(4-(4-(3,4-Dimethoxybenzyl)piperazin-1-yl)phenylcarbamoyl)phenyl)quinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL266212; BDBM50209506
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||||
| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
Benzo[b]thiophene-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
Thianaphthene-2-carboxylic acid; Benzo(b)thiophene-2-carboxylic acid; 1-Benzothiophene-2-carboxylic acid; Thionaphthene-2-carboxylic acid; Benzothiophene-2-carboxylic acid; 2-benzo[b]thiophenecarboxylic acid; UNII-HLR49221FQ; MFCD00051636; CHEMBL312607; HLR49221FQ; benzothiophene 2 carboxylic acid; Thionapthene-2-carboxylic acid; BL-5583; Thianaphthene-2-carboxylicacid; 2-Benzothiophenecarboxylic acid; NSC 40258; zlchem 823; ACMC-20airt; NSC 112990; 2-Carboxybenzothiophene; Maybridge1_002631; SCHEMBL93858; benzothiophene carboxylic acid; DivK1c_001383; benzo[b]thiophenecarboxylic acid; benzothiophen-2-carboxylic acid; benzothiophene 2-carboxylic acid; HMS548P13; KS-00000CCD; ZINC42511; DTXSID60212485; ZLD0284; ALBB-032943; NSC40258; ANW-75255; BDBM50149218; GEO-02293; NSC-40258; NSC112990; SBB003763; STL353601; 1-Benzothiophene-2-carboxylic acid #; AKOS000266073; Thianaphthene-2-carboxylic acid, 98%; CS-W004876; FS-1519; LS40345; MCULE-6165149428; NSC-112990; SDCCGMLS-0065962.P001; CDS1_000343; NCGC00339347-01; AC-22600; AK-27833; BR-27833; SC-13722; ST019994; SY003106; AB0002497; DB-007270; FT-0601179; EN300-13076; M-2653; AB01332017-02; 314B289; J-640122; J-800126; W-200470; W-204306; Q27279999; Z89265777; F2191-0022
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| Activity |
IC50 ~ 100000 nM
|
[24] | |||
| Compound Name |
4-Cyanobenzaldehyde
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Investigative | Compound Info | ||
| Synonyms |
4-Formylbenzonitrile; Benzonitrile, 4-formyl-; p-Cyanobenzaldehyde; p-Formylbenzonitrile; Benzaldehyde, p-cyano-; Terephthalaldehydonitrile; Benzonitrile, p-formyl-; USAF KF-1; 4-FormYl-Benzonitrile; p-Cyanobenzenecarboxaldehyde; NSC 5091; MFCD00003376; 4-cyano-benzaldehyde; UNII-DWH62Y9TCA; DWH62Y9TCA; CHEMBL1922276; 4-formylbenzenecarbonitrile; 4-Cyanobenzaldehyde, 98%; EINECS 203-267-3; p-cyano benzaldehyde; 4-cyano benzaldehyde; 4-cyanobenzal-dehyde; 4-formyl benzonitrile; PubChem3118; PubChem8078; WLN: VHR DCN; ACMC-1BQT2; SCHEMBL7047; 4-Formylbenzonitrile, 95%; 4-methanoylbenzenecarbonitrile; KSC176G9L; ARONIS24248; Terephthalaldehydonitrile (8CI); DTXSID6059312; CTK0H6395; KS-00000AXB; NSC5091; ZINC156750; ACT01162; ALBB-005986; NSC-5091; STR00719; AC-283; ANW-15169; BBL022958; BDBM50358749; SBB008634; STK501695; AKOS000119506; AS02996; CS-W001948; EBD3315213; MCULE-7602188115; PS-5292; AK-41243; BP-11467; BR-41243; SC-00211; DB-006791; AM20060796; BB 0260077; FT-0601275; ST50946585; EN300-20402; 05C077; BENZALDEHYDE,4-CYANO MFC8 H5 N1 O1; C-4550; A801147; J-650097; W-108795; F0001-0136
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||||
| Activity |
IC50 ~ 100000 nM
|
[24] | |||
| Compound Name |
4-Bromoindole
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Investigative | Compound Info | ||
| Synonyms |
4-bromo-1H-indole; 1H-INDOLE, 4-BROMO-; MFCD00671502; CHEMBL1922275; 4-bromo-indole; PubChem7449; 4-Bromoindole, 96%; ACMC-1AMO5; KSC269G6J; SCHEMBL147290; AMOT0049; CTK1G9364; GRJZJFUBQYULKL-UHFFFAOYSA-; ZINC39644; DTXSID50350300; ACN-P001096; ACT03546; BCP00057; CS-D1365; ANW-31477; BBL100638; BDBM50358748; EBD971583; GEO-00479; SBB054556; STL554432; AKOS005146230; AC-1029; AC-6685; MCULE-5194512505; MS-1992; PB10160; VI30220; KS-000003E7; AK-16402; BC003246; BP-10280; BR-16402; SC-05037; SY008903; AB0008212; DB-006731; AM20040627; FT-0601205; FT-0630305; ST50331239; A-1729; A15618; 59992-EP2281815A1; 59992-EP2298738A1; 59992-EP2308875A1; 488B365; Z1696844501
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| Activity |
IC50 ~ 100000 nM
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[24] | |||
| Compound Name |
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)acetonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1882851; 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile; SMR000038114; Maybridge1_001642; MLS000079846; SCHEMBL2944936; HMS546C14; HMS2274D22; ZINC2150989; BDBM50358751; STK360192; AKOS000204126; MCULE-2429968682; ST45241221; 2-(5-amino-1,3,4-thiadiazol-2-ylthio)ethanenitrile; [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile; F2158-2238
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| Activity |
IC50 ~ 100000 nM
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[24] | |||
| Compound Name |
JTZ-951 HCl
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4166742; 1262131-60-1 (HCl); (7-Hydroxy-5-phenethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)glycine hydrochloride; JTZ-951 hydrochloride; SCHEMBL1481939; BDBM50286071
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| Activity |
IC50 ~ 100000 nM
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[25] | |||
| Compound Name |
2-Chloro-6-(2,2,2-trifluoroethoxy)benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922277; Maybridge1_003061; HMS550D03; ZINC142629; BDBM50358750; AKOS011785244; CCG-243893; MCULE-2961192566; 2-chloro-6-(2,2,2-trifluoro-ethoxy)-benzonitrile
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| Activity |
IC50 ~ 100000 nM
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[24] | |||
| Compound Name |
2-[5-Fluoro-2-methyl-3-(1-oxo-2-propan-2-ylisoquinolin-4-yl)indol-1-yl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3236948; SCHEMBL1757378; CRA-680; BDBM50006830; 2-(5-fluoro-3-(2-isopropyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-2-methyl-1H-indol-1-yl)acetic acid
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| Activity |
IC50 ~ 100000 nM
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[26] | |||
| Compound Name |
2,7-Dichloronaphthalene
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Investigative | Compound Info | ||
| Synonyms |
Naphthalene, 2,7-dichloro-; 2,7-Dichloro-naphthalene; CHEMBL194711; NSC112382; 2,7-Dichlornaphthalin; 2,7-Dichlor-naphthalin; Naphthalene,7-dichloro-; SCHEMBL2473615; DTXSID7062247; CTK1A6264; ZINC1703604; EINECS 218-605-5; BDBM50159259; AKOS006276853; NSC 112382; NSC-112382
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| Activity |
IC50 ~ 100000 nM
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[20] | |||
| Compound Name |
4-(2-Thienyl)benzaldehyde
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Investigative | Compound Info | ||
| Synonyms |
4-(thiophen-2-yl)benzaldehyde; 4-Thiophen-2-yl-benzaldehyde; 4-(2-Thienyl)benzaldeyde; 4-thiophen-2-ylbenzaldehyde; Benzaldehyde,4-(2-thienyl)-; CHEMBL1922272; ACMC-209vfl; SCHEMBL5852; 4-(Thien-2-yl)benzaldehyde; 4-(Thiophen-2-yl)-benzaldehyde; CTK4A5737; DTXSID40353042; 4-(2-Thienyl)benzaldeyde, 97%; ZINC158701; KS-00000GI5; ANW-45007; BDBM50358753; MFCD02682003; SBB005905; STL302123; AKOS000805679; DS-9648; MCULE-3231149685; VZ27699; AK-17913; AB0027985; BB 0222527; FT-0616564; W9910; M-8414; W-204649; F9995-0541
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| Activity |
IC50 ~ 100000 nM
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[24] | |||
| Compound Name |
N-(2-((2-((3,4-Dimethoxyphenethyl)(methyl)amino)ethyl)carbamoyl)phenyl)quinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL244239; BDBM50209505
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
N-(1-((5-Cyanopyridin-2-yl)methyl)-1H-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)-phenyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
ACT-709478; UNII-3Z7U1U8Z9E; 3Z7U1U8Z9E; CHEMBL4217292; SCHEMBL17316866; BCP30302; EX-A3130; BDBM50452245; ACT 709478; BS-16157; HY-112723; CS-0062884; ACT709478; ACT 709478
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| Activity |
IC50 ~ 100000 nM
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[27] | |||
| Compound Name |
2-Phenyl-5-(5-methyl-3-pyridinylmethyl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2417553; SCHEMBL2716882; BDBM50439057; 3-methyl-5-[(6-phenylpyridin-3-yl)methyl]pyridine; 5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
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| Activity |
IC50 = 106000 nM
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[28] | |||
| Compound Name |
3-(5-Nitrothiophen-2-yl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
3-(5-nitro-2-thienyl)pyridine; CHEMBL179610; SCHEMBL3614432; CTK5F1052; DTXSID90649765; Pyridine,3-(5-nitro-2-thienyl)-; BDBM50158945; ZINC13607081; 3-(5-Nitro-thiophen-2-yl)-pyridine; AKOS015962781; N-(4-aminophenyl)methanesulfonamidehydrochloride; US8609708, 73
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| Activity |
IC50 = 118000 nM
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[19] | |||
| Compound Name |
Anabaseine
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Investigative | Compound Info | ||
| Synonyms |
3,4,5,6-Tetrahydro-2,3'-bipyridine; 3-(3,4,5,6-tetrahydropyridin-2-yl)pyridine; 2,3'-BIPYRIDINE, 3,4,5,6-TETRAHYDRO-; UNII-DYE103K23I; DYE103K23I; 3-(2,3,4,5-tetrahydropyridin-6-yl)pyridine; BRN 0125981; SCHEMBL261062; CHEMBL1230982; CTK8F7764; DTXSID50188266; US8609708, 74 Anabaseine; BDBM109773; ZINC14722833; AKOS000277414; FT-0662138; FT-0662139; X5073; C16906; 5-23-06-00507 (Beilstein Handbook Reference); J-019727; Q19903288
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| Activity |
IC50 = 120000 nM
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[19] | |||
| Compound Name |
1,6-Dimethylnaphthalene
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Investigative | Compound Info | ||
| Synonyms |
Naphthalene, 1,6-dimethyl-; UNII-DXN13WI5EY; 1,6-Dimethyl-Naphthalene; 1,6-DMN; DXN13WI5EY; MLS002667564; CHEMBL363803; MFCD00004039; SMR001216530; HSDB 6024; EINECS 209-385-1; NSC 52966; AI3-17608; ACMC-1AJSW; DSSTox_CID_2415; C14217; DSSTox_RID_76582; DSSTox_GSID_22415; MLS001050091; BIDD:ER0552; 1,6-Dimethylnaphthalene, 99%; DTXSID7022415; WLN: L66J B1 H1; ALBB-013849; NSC52966; ZINC1684247; Tox21_200672; 5914AE; ANW-32745; BBL019900; BDBM50159275; NSC-52966; STL196685; AKOS005173948; MCULE-1682432732; VZ20759; NCGC00091292-01; NCGC00091292-02; NCGC00258226-01; VS-07023; AB0113142; Naphthalene, 1,6-dimethyl- (8CI)(9CI); 1,6-Dimethylnaphthalene, analytical standard; FT-0607007; ST45022256; Y-9547; Q27115787
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| Activity |
IC50 = 130000 nM
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[20] | |||
| Compound Name |
1-Naphthol
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Investigative | Compound Info | ||
| Synonyms |
naphthalen-1-ol; 1-Naphthalenol; alpha-naphthol; 1-Hydroxynaphthalene; NAPHTHOL; Fouramine ERN; Fourrine ERN; Tertral ERN; Furro ER; Basf Ursol ERN; Ursol ERN; Fourrine 99; Nako TRB; Zoba ERN; Durafur developer D; alpha-Hydroxynaphthalene; Naphthalenol; C.I. Oxidation Base 33; .alpha.-Naphthol; 1-Naphthyl alcohol; NSC 9586; C.I. 76605; CCRIS 1172; CI Oxidation Base 33; HSDB 2650; .alpha.-Hydroxynaphthalene; EINECS 201-969-4; UNII-2A71EAQ389; CI 76605; AI3-00106; MFCD00003930; WLN: L66J BQ; CHEMBL122617; SGCUT00118; NSC9586; 2A71EAQ389; to_000072; LS-95401; 1-Naphthol, 99+%; DSSTox_CID_1793; C11714; DSSTox_RID_76330; DSSTox_GSID_21793; AB-131/40232333; 1-napthol; Naphthol-1; Naphthyl-1-ol; alpha-Naphthyl alcohol; napthalenol; alpha naphthol; alpha-napthol; napthyl alcohol; hydroxynaphthalene; naphthalene-1-ol; Naphthol 1; 1-Naphtol; 8 -naphthol; hydroxy naphthalene; (+)-naphthol; nchembio791-comp4; 1-Naphthol, Reagent; 1-Naphthol, Purified; Naphth-1-ol, 9; PubChem16938; ACMC-20ait6; SCHEMBL3416; alpha-Naphthol, 1-Naphthol; KSC179K6D; 33420_RIEDEL; 35825_RIEDEL; N1000_SIAL; N2780_SIAL; 1-Naphthol, Pure PA, 99%; 1-Naphthol, LR, >=99%; DTXSID6021793; 70438_FLUKA; 70442_FLUKA; BDBM23450; CTK0H9561; 1-Naphthol, BioXtra, >=99%; 1-Naphthol, p.a., 99.0%; ACT07473; HY-Y1309; NSC-9586; ZINC4292977; Tox21_202120; Tox21_302768; 1-Naphthol, >=98.0% (GC); ANW-75304; BBL011611; SBB040845; STL163337; ZINC00967929; AKOS000118822; CS-W020125; EBD2205191; GS-6917; MCULE-2825050946; QC-1267; 1-Naphthol, ReagentPlus(R), >=99%; Duloxetine EP Impurity D (1-Naphthol); NCGC00249169-01; NCGC00256563-01; NCGC00259669-01; AK-44442; ST5214429; 1-Naphthol, SAJ special grade, >=99.0%; 1-Naphthol, Vetec(TM) reagent grade, 98%; FT-0608111; N0026; N0864; ST50214429; 1-Naphthol, PESTANAL(R), analytical standard; M-5886; A843458; Q408876; J-610055; F1908-0108; Z1262254359
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| Activity |
IC50 = 130000 nM
|
[20] | |||
| Compound Name |
2-Naphthol
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Investigative | Compound Info | ||
| Synonyms |
naphthalen-2-ol; 2-Naphthalenol; beta-naphthol; Betanaphthol; 2-Hydroxynaphthalene; Isonaphthol; Developer BN; Naphthol B; 2-Naphtol; Azogen developer A; beta-Naphtol; beta-Napthol; Developer A; Developer AMS; beta-Hydroxynaphthalene; 2-Naftolo; 2-Naftol; Developer sodium; C.I. Developer 5; beta-Naphthyl alcohol; beta-Monoxynaphthalene; beta-Naftol; beta-Naftolo; beta-Naphthyl hydroxide; NAPHTHOL, BETA; .beta.-Naphthol; C.I. Azoic Coupling Component 1; Antioxygene BN; UNII-P2Z71CIK5H; .beta.-Naftolo; .beta.-Naphtol; .beta.-Napthol; .beta.-Naftol; NSC 2044; C.I. 37500; MFCD00004067; 2-Naphthol, 98%; .beta.-Naphthyl alcohol; .beta.-Monoxynaphthalene; .beta.-Hydroxynaphthalene; .beta.-Naphthyl hydroxide; P2Z71CIK5H; CHEMBL14126; 2-Naphthol, 99+%; DSSTox_CID_7061; DSSTox_RID_78296; DSSTox_GSID_27061; 2-Naftol [Dutch]; beta-Naftol [Dutch]; 2-Naphtol [French]; Caswell No. 590; 2-Naftolo [Italian]; beta-Naphtol [German]; beta-Naftolo [Italian]; 2-Napththol; Betanaphthol [NF]; HSDB 6812; EINECS 205-182-7; EPA Pesticide Chemical Code 010301; Hydronaphthol; AI3-00081; 2-napthol; napthalen-2-ol; 2-naphthylalcohol; naphth-2-ol; Naphthol AS-PTR; Naphthol, .beta.; EINECS 215-322-9; 2-hydroxy naphthalene; 2-Naphthol, Reagent; Tolnaflate Impurity A; 2-Naphthol, Purified; BRN 1817321; 2-Naphthol, 99%; Naphth-2-ol, 10; beta.-hydroxynaphthalene; Microcidin (Salt/Mix); ACMC-1CUIO; 2-Naphthol, 98.5%; EC 205-182-7; SCHEMBL28781; WLN: L66J CQ; KSC174M7N; SGCUT00131; 2-Naphthol, LR, >=98%; DTXSID5027061; CTK0H4676; Naphthalen-2-ol (beta-Naphthol); NSC2044; Sodium 2-naphthoxide (Salt/Mix); HMS3264N15; Pharmakon1600-01504501; ZINC967928; HY-Y0110; KS-00000N6H; NSC-2044; to_000010; Tox21_201884; Tox21_303038; ANW-75298; BDBM50159250; NSC758883; s6035; SBB040896; STL281866; AKOS000119842; AM86551; CCG-213932; HR-0304; MCULE-2675031485; MP-2123; NSC-758883; 2-Naphthol, purum, >=98.0% (GC); NCGC00249132-01; NCGC00257077-01; NCGC00259433-01; AC-10464; AK109022; SC-18950; 2-Naphthol, BioXtra, >=99.0% (GC); SBI-0207084.P001; 2-Naphthol, SAJ first grade, >=98.0%; CS-0008403; FT-0613121; N0027; ST50214496; 2-Naphthol, fluorescence indicator, >=99.0%; C11713; AB01314260_03; 3-ETHYL-5-METHYLISOXAZOLE-4-CARBOXYLICACID; 4-06-00-04208 (Beilstein Handbook Reference); A806896; AB-131/40299865; Q949232; SR-01000872753; Q-200736; SR-01000872753-1; BRD-K21164796-001-01-0; Z57127515; F0001-0455
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| Activity |
IC50 = 139958.73 nM
|
[18] | |||
| Compound Name |
2-Bromobenzofuran
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Investigative | Compound Info | ||
| Synonyms |
2-bromo-1-benzofuran; Bromobenzofuran; 2-Bromobenzo[b]furan; 2-BROMO-1-BENZOFURANE; CHEMBL3358222; MFCD02681987; Benzofuran,2-bromo-; Benzofuran, 2-bromo-; PubChem13460; 2-bromanyl-1-benzofuran; SCHEMBL594981; CTK1G9047; DTXSID50379935; ZINC158632; BCP22901; ANW-47878; BDBM50037845; SBB092093; AKOS006230692; CS-W006236; MB02457; MP-1022; AC-26523; AK-32032; AS-18404; BC003749; BR-32032; SY101367; AB0025378; DB-004247; FT-0611377; W6833; 008B774; 103281-EP2301921A1; A829904; J-508173
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||||
| Activity |
IC50 = 140000 nM
|
[17] | |||
| Compound Name |
4-Chlorobiphenyl
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|
Investigative | Compound Info | ||
| Synonyms |
4-Chloro-1,1'-biphenyl; p-Chlorobiphenyl; p-Chlorodiphenyl; 4-Chlorodiphenyl; 1-Chloro-4-phenylbenzene; 1,1'-Biphenyl, 4-chloro-; Biphenyl, 4-chloro-; 4-Monochlorobiphenyl; 4-Chlorbiphenyl; 4-Chloro-Biphenyl; 4-Monochloro-biphenyl; UNII-QA22Z3NGLU; 1-chloro-4-phenyl benzene; PCB 3 (4-Chlorobiphenyl); 4-(4'-Chlorophenyl)benzene; PCB No 3; QA22Z3NGLU; 4-PCB; 1,1'-Biphenyl,4-chloro-; CHEMBL276334; MFCD00013640; EINECS 218-127-7; NSC 37066; AI3-00135; CCRIS 9311; 1-CHLORO-4-PHENYL-BENZENE; 4-chlorophenylbenzene; BALLSCHMITER NO 3; WLN: GR DR; BZNO 3; PCB No. 3; 4-chloro-1,1''-biphenyl; DSSTox_CID_20300; PCB 3; DSSTox_GSID_40300; 1-chloranyl-4-phenyl-benzene; SCHEMBL183912; PCB No 3, analytical standard; DTXSID3040300; CTK4E4414; TIMTEC-BB SBB007810; ZINC968249; NSC37066; Tox21_303788; ANW-53878; BBL103159; BDBM50159271; CX1304; NSC-37066; SBB007810; STL556969; 1,1'-Biphenyl, 4-chloro- (9CI); AKOS005254766; AS01273; MCULE-4638303671; PS-8431; VZ28668; PCB No. 3 10 microg/mL in Isooctane; NCGC00356978-01; AC-10360; AB0033578; DB-028825; FT-0617970; ST50828043; X7238; C-5346; C06584; 051C629; A814632; AE-562/43287010; W-107615; Q27103306; UNII-9XW97A4F4F component FPWNLURCHDRMHC-UHFFFAOYSA-N
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||||
| Activity |
IC50 = 149968.48 nM
|
[18] | |||
| Compound Name |
3-Bromo-5-thiophen-3-yl-pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL178527; SCHEMBL2958071; 5-(3-Thienyl)-3-bromopyridine; CTK5I8994; 3-bromo-5-thiophen-3-ylpyridine; 3-Bromo-5-(thiophen-3-yl)pyridine; BDBM50158924; AKOS015946869; US8609708, 78
Click to Show/Hide
|
||||
| Activity |
IC50 = 165000 nM
|
[19] | |||
| Compound Name |
5-(Pyridin-3-yl)pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
5-pyridin-3-ylpyrimidine; CHEMBL179762; 5-(3-Pyridyl)pyrimidine; 5-Pyridin-3-yl-pyrimidine; SCHEMBL3614263; CTK8C2950; DTXSID40586499; cid_16654683; 1345AC; ANW-69350; BDBM50158932; ZINC13607113; AKOS016006059; MLS-0091916.0001; US8609708, 77
Click to Show/Hide
|
||||
| Activity |
IC50 = 165000 nM
|
[19] | |||
| Compound Name |
1-Cyclohexylmethyl-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL120057; 1H-Imidazole, 1-(cyclohexylmethyl)-; 1-Cyclohexylmethylimidazole; SCHEMBL570574; 1-(CYCLOHEXYLMETHYL)IMIDAZOLE; BDBM50149352; AKOS009098356; MCULE-6636523412
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||||
| Activity |
IC50 = 170000 nM
|
[29] | |||
| Compound Name |
Myosmine
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|
Investigative | Compound Info | ||
| Synonyms |
3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine; 3-(1-Pyrrolin-2-yl)pyridine; Miosmine; UNII-9O0A545W4L; 3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridine; MFCD00052019; Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-; 3-(1-PYRROLIN-2-YL)-PYRIDINE; 2-(3-Pyridyl)-1-pyrroline; CHEMBL423429; 3-(2-Pyrrolin-2-yl)pyridine; 9O0A545W4L; Pyridine, 3-(1-pyrrolin-2-yl)-; CCRIS 9356; Prestwick_202; Myosmine, 98%; Spectrum_001130; Nicotine EP Impurity D; SpecPlus_000615; Prestwick0_000647; Prestwick1_000647; Prestwick2_000647; Prestwick3_000647; Nicotine Related Compound D; BSPBio_000653; KBioSS_001610; 5-23-06-00466 (Beilstein Handbook Reference); DivK1c_006711; SPBio_002574; BPBio1_000719; SCHEMBL5319476; KBio1_001655; KBio2_001610; KBio2_004178; KBio2_006746; DTXSID70891866; US8609708, 79 Myosmine; HMS1570A15; HMS2097A15; ZINC159590; KS-000002EY; 5048AE; BBL100560; BDBM50125053; s3311; STL554354; 3-(1-Pyrrolin-2-yl)pyridine, 8CI; AKOS005254654; CCG-214475; CS-W001909; HY-W001909; MCULE-7478723183; NCGC00016493-01; NCGC00016493-02; NCGC00163359-01; MS-20037; 1-AMINO-CYCLOPENT-3-ENECARBOXYLICACID; 3-(3,4-Dihydro-2H-pyrrol-5-yl)-Pyridine; FT-0629049; FT-0672571; ST50824026; 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine #; C10160; X-4253; 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI; Q411486; 3-(4,5-Dihydro-3H-pyrrol-2-yl)pyridine (Myosmine); BRD-K67556876-001-03-1; BRD-K67556876-001-04-9; Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)
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||||
| Activity |
IC50 = 187000 nM
|
[19] | |||
| Compound Name |
2-Methylquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
Quinaldine; Chinaldine; Khinaldin; Quinoline, 2-methyl-; Methylquinoline; 2-Methyl-quinoline; 2-Methylchinolin; CCRIS 1155; 2-Methylchinolin [Czech]; NSC 3397; EINECS 202-085-1; UNII-DVG30M0M87; BRN 0110309; AI3-11528; MFCD00006756; WLN: T66 BNJ C1; CHEMBL194931; DVG30M0M87; NSC3397; 5-20-07-00375 (Beilstein Handbook Reference); SBB008939; Quinaldine, 95+%; LS-139877; Quinoline, methyl-; 2-Methylquionoline; alpha-Methylquinoline; ACMC-20aiug; PubChem5809; .alpha.-Methylquinoline; DIMETHYLQUINOLINES; Quinaldine, >=95%; 2-METHYLCHINOLINE; DSSTox_CID_20271; DSSTox_RID_79464; DSSTox_GSID_40271; SCHEMBL56360; KSC174K5P; Q2125_SIGMA; SCHEMBL7411349; DTXSID3040271; 22550_FLUKA; Quinaldine, >=95.0% (GC); AIDS020531; HMS1783C21; ACT10326; AIDS-020531; BCP21021; KS-000000XV; NSC-3397; ZINC1081286; Tox21_302026; 2-Methylquinoline (ACD/Name 4.0); ANW-75350; BDBM50159277; STL268892; ZINC01081286; 2-Methylquinoline;Khinaldin;Chinaldine; AKOS000119149; AKOS016371196; FS-4097; LS20882; MCULE-7892906832; 2-METHYL-QUINOLINE (QUINALDINE); NCGC00188127-01; NCGC00255440-01; BR-45053; SC-07320; DB-057266; FT-0631440; Q0005; ST50307925; A26316; M-6891; Quinaldine, analytical standard, >=90% (GC); 2-Methylquinoline 100 microg/mL in Acetonitrile; Q415376; J-510102; F0001-2219; 2-Methylchinolin;2-Methylpuinoiline;2-methyl-quinolin;alpha-Methylquinoline
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||||
| Activity |
IC50 = 190000 nM
|
[20] | |||
| Compound Name |
2-Chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3640782; SCHEMBL13035470; BDBM109774; US8609708, 80
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||||
| Activity |
IC50 = 191000 nM
|
[19] | |||
| Compound Name |
3-Methylquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
Quinoline, 3-methyl-; 3-methyl-quinoline; 3-Methyl-1-benzazine; CCRIS 2896; NSC 109149; UNII-1YC9RBW2G0; MFCD00014661; beta-Methylquinoline; 1YC9RBW2G0; CHEMBL195661; EINECS 210-315-7; BRN 0110325; 3-methyl quinoline; PubChem2344; ACMC-209mql; 3-Methylquinoline, 99%; SCHEMBL2938; 5-20-07-00388 (Beilstein Handbook Reference); AMPD00176; CTK2F3293; DTXSID60210108; ZINC1701249; AM1098; ANW-33739; BDBM50159256; c0070; NSC109149; AKOS002337541; CS-W016413; MCULE-2515343093; NSC-109149; AC-27345; AK-72496; DS-15139; Quinoline, 3-methyl- (7CI,8CI,9CI); SC-05734; SY048469; AB0019190; DB-053823; FT-0616179; M0782; ST50823862; EN300-79890; Q-7593; A833130; Q27109284; Z1259339761
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|
||||
| Activity |
IC50 = 199986.19 nM
|
[18] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 26 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Cotinine
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|
Approved | Compound Info | ||
| Synonyms |
cotinine; (-)-Cotinine; 486-56-6; Cotinina; Cotininum; (S)-(-)-Cotinine; (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one; Cotinine (-); (S)-Cotinine; UNII-K5161X06LL; (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone; 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-; CHEBI:68641; (S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone; UIKROCXWUNQSPJ-VIFPVBQESA-N; K5161X06LL; Cotinine [INN]; MFCD00077696; Cotininum [INN-Latin]; Cotinina [INN-Spanish]; S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone; (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
Valproate
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|
Approved | Compound Info | ||
| Synonyms |
99-66-1; Dipropylacetic acid; Depakine; Depakene; 2-Propylvaleric acid; Ergenyl; Di-n-propylacetic acid; Mylproin; Pentanoic acid, 2-propyl-; 4-Heptanecarboxylic acid; Propylvaleric acid; n-Dipropylacetic acid; Myproic Acid; Di-n-propylessigsaure; n-DPA; Dipropylacetate; Convulex; Depakin; Vupral; Acido valproico; Acide valproique; Acidum valproicum; Stavzor; Avugane; Baceca; Kyselina 2-propylvalerova; 2-n-Propyl-n-valeric acid; Acetic acid, dipropyl-; Abbott 44090; Valproinsaeure; Savicol; Convulsofin; Deproic; VPA; Depakin chrono; Dipropyl Acetate; Med Valproic; Valproic acid USP; Valproic acid USP24; Acide valproique [INN-French]; Acido valproico [INN-Spanish]; Acidum valproicum [INN-Latin]; Alti-Valproic; Depakote (TM); Dom-Valproic; G2M-777; Kyselina 2-propylvalerova [Czech]; N-DPA; N-Dipropylacetic acid; Novo-Valproic; Nu-Valproic; PMS-Valproic Acid; Penta-Valproic; Valproic acid (USP); Di-n-propylessigsaeure; Di-n-propylessigsaure [German]; Valproic acid [USAN:INN:BAN]; Valproic Acid, SodiumSalt (2:1); 2 PP (base)
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|
||||
| Activity |
Ki = 9150000 nM
|
[3] | |||
| Compound Name |
5-Hydroxy saxagliptin
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|
Investigative | Compound Info | ||
| Synonyms |
UNII-PB91NV4HAN; PB91NV4HAN; Saxagliptin analogue 28; Saxagliptin metabolite M2; CHEMBL3350936; SCHEMBL13096265; BDBM11543; M2 saxagliptin hydroxylated metabolite; BMS 510849; (S)-3,5-Dihydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile TFA salt
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||||
| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
3-(Imidazol-1-ylmethyl)pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
MLS-0091918.0001; SCHEMBL570582; 3-(1-imidazolylmethyl)pyridine; 3-Imidazol-1-ylmethyl-pyridine; CHEMBL1440486; BDBM45885; cid_16654684; AKOS009156003; US9394290, 3
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[29] | |||
| Compound Name |
(5-(Pyridin-3-yl)furan-2-yl)methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL360068; (5-pyridin-3-ylfuran-2-yl)methanol; 2-Furanmethanol, 5-(3-pyridinyl)-; SCHEMBL3617944; CTK3D1372; DTXSID00466081; BDBM50158949; (5-Pyridin-3-yl-furan-2-yl)-methanol; US8609708, 81
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||||
| Activity |
IC50 = 211000 nM
|
[19] | |||
| Compound Name |
3-Methyl-2,3'-bipyridine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL179200; 2,3'-Bipyridine, 3-methyl-; 3-Methyl-2,3'-bipyridyl; 3-Methyl-[2,3']Bipyridinyl; SCHEMBL3613457; 3-methyl-2-pyridin-3-ylpyridine; 3-Methyl-[2,3'''']bipyridinyl; 3-methyl-2-(pyridin-3-yl)pyridine; BDBM50158950; US8609708, 82
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||||
| Activity |
IC50 = 262000 nM
|
[19] | |||
| Compound Name |
3-(Pyridin-3-yl)quinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL178453; 3-pyridin-3-ylquinoline; 3-(3-Pyridyl)quinoline; MLS002206290; BDBM8925; SCHEMBL3612716; cid_11701255; Pyridine-substituted quinoline 19; HMS2195E17; HMS3351G08; ZINC13607118; SMR001295108; MLS-0091927.0001; US8609708, 83
Click to Show/Hide
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||||
| Activity |
IC50 = 267000 nM
|
[19] | |||
| Compound Name |
1-Benzothiophene-3-carbonyl chloride
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Investigative | Compound Info | ||
| Synonyms |
Benzo[b]thiophene-3-carbonyl chloride; Benzothiophene-3-carbonyl chloride; CHEMBL3358214; Benzo[b]thiophene-3-carbonylchloride; PubChem14539; SCHEMBL645673; CTK1C1841; DTXSID30379998; ALBB-010831; ZINC2582864; BDBM50037881; MFCD02682005; AKOS005172552; FS-5875; MCULE-4332616181; VT20373; 1-benzo[b]thiophene-3-carbonyl chloride; benzothiophene-3-carboxylic acid chloride; SC-54586; DB-022594; FT-0607374; Y8997; 1-benzothiophene-3-carbonyl chloride, AldrichCPR; A824754; J-504230
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||||
| Activity |
IC50 = 270000 nM
|
[17] | |||
| Compound Name |
Demethylcotinine
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Investigative | Compound Info | ||
| Synonyms |
(5S)-5-pyridin-3-ylpyrrolidin-2-one; UNII-8QA8709E9J; 8QA8709E9J; (5s)-5-(pyridin-3-yl)pyrrolidin-2-one; (S)-5-Pyridin-3-yl-pyrrolidin-2-one; CHEMBL3544719; SCHEMBL13035251; CTK8E0471; BDBM109775; US8609708, 84 Norcotinine; ZINC3869576; SB37864; (S)-5-(3-Pyridinyl)-2-pyrrolidinone; (S)-5-(Pyridin-3-yl)pyrrolidin-2-one; 2-Pyrrolidinone, 5-(3-pyridinyl)-, (S)-; Q27270898
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||||
| Activity |
IC50 = 274000 nM
|
[19] | |||
| Compound Name |
2,6-Dimethylquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
Quinoline, 2,6-dimethyl-; 6-Methylquinaldine; p-Toluquinaldine; 2,6-Dimethyl-quinoline; UNII-KST0M1T4MB; MFCD00006762; KST0M1T4MB; CHEMBL194502; NSC 1782; EINECS 212-891-5; PubChem5876; Quinoline,6-dimethyl-; ACMC-209qpt; 2,6-dimethylquinoline;; AI3-03277; Quinoline, 2,6-dimethyl; Quinoline,2,6-dimethyl-; BIDD:GT0805; SCHEMBL161703; 2,6-Dimethylquinoline, 98%; DTXSID0044153; CTK5F8958; NSC1782; ACN-S003357; ACT10239; EBD21300; NSC-1782; 3958AC; ANW-38895; BBL034645; BDBM50159273; STL420576; ZINC11535689; AKOS000121619; CS-W010911; MCULE-3519758935; VQ10072; KS-00000E20; NCGC00334900-01; 2,6-dimethyl-quinolin;6-Methylquinaldine; AS-48061; SC-54373; SY016998; DB-057018; D1236; EU-0000308; FT-0633059; ST45022288; A26313; AB01326686-02; Q27282416
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||||
| Activity |
IC50 = 279898.13 nM
|
[18] | |||
| Compound Name |
2,7-Dimethylquinoline
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Investigative | Compound Info | ||
| Synonyms |
Quinoline, 2,7-dimethyl-; m-Toluquinaldine; 2,7-Dimethyl-quinoline; CHEMBL194876; NSC5240; 7-Methylquinaldine; NSC 5240; EINECS 202-242-4; Quinoline,7-dimethyl-; SCHEMBL951793; 2,7-Dimethylquinoline, 99%; DTXSID0059085; CTK5H2437; ACT10246; NSC-5240; 5835AC; BDBM50159253; MFCD00006763; ZINC11535760; AKOS015897204; ACN-048587; VQ10073; AS-49542; DB-057396; CS-0119502; FT-0631465
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||||
| Activity |
IC50 = 399944.75 nM
|
[18] | |||
| Compound Name |
Nicotine iminium
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Investigative | Compound Info | ||
| Synonyms |
nicotine-Delta1'5'-iminium ion; 3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine; 11C-nicotine imine; nicotine imine; (S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium; AC1L48GZ; CHEMBL3126023; SCHEMBL13073601; DTXSID10962504; BDBM109780; 2H-Pyrrolium, 3,4-dihydro-1-methyl-2-(3-pyridinyl)-, (S)-; CPD-3186; ZINC5159450; US8609708, 93 Nicotine ?1'-5'-iminium ion; US8609708, 93 Nicotine Delta1'-5'-iminium ion; pyrrolidium, 1-(methylene-11C)-2-(3-pyridinyl)-, (S)-; 1-METHYL-2-(PYRIDIN-3-YL)-3,4-DIHYDRO-2H-PYRROL-1-IUM; [(S)-3,4-Dihydro-1-methyl-2alpha-(pyridin-3-yl)-2H-pyrrol]-1-ium
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
l-Nor-nicotine
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Investigative | Compound Info | ||
| Synonyms |
(S)-3-(Pyrrolidin-2-yl)pyridine; Nornicotin; 1'-Demethyl nicotine; 3-[(2S)-pyrrolidin-2-yl]pyridine; (S)-Nornicotine; Pyridine, 3-(2S)-2-pyrrolidinyl-; S-(-)-Nornicotine; UNII-83H6L5QD8Z; Nicotine, 1'-demethyl-, (S)-; (S)-1'-demethylnicotine; CHEMBL6200; NORNICOTINE, DL-(RG); 83H6L5QD8Z; (-)-nornicotine; (S)-2-(3-Pyridyl)pyrrolidine; BRN 0081968; Pyridine, 3-(2-pyrrolidinyl)-,(S)-; (S)-3-Pyrrolidin-2-yl-pyridine; HSDB 8034; Pyridine, 3-(2-pyrrolidinyl)-, (S)-; 1''-demethyl nicotine; (S)-(-)-Nornicotine; (S)-1''-demethylnicotine; 5-23-06-00062 (Beilstein Handbook Reference); SCHEMBL158146; DTXSID7075420; KS-00000PCK; US8609708, 90 Nornicotine; ZINC391820; 3-[(2S)-2-pyrrolidinyl]pyridine; BDBM50035415; MFCD03703484; AKOS006277281; CS-W021170; HY-W040430; SB37344; DS-15937; A827730
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
Nicotelline
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Investigative | Compound Info | ||
| Synonyms |
Nicotellin; 3,2':4',3''-Terpyridine; UNII-7AO144V8IZ; 2,4-dipyridin-3-ylpyridine; 7AO144V8IZ; SCHEMBL1760672; 4-N-NONYLBENZOYLCHLORIDE; 2,4-Di(pyridin-3-yl)pyridine; CHEMBL3640784; CTK1D6525; DTXSID40197781; BDBM109782; US8609708, 95 Nicotelline; [3,2':4',3'']-Terpyridine; MFCD09743383; ZINC13208892; AKOS030239875; FT-0672693; Q27266849
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
Nicotine-1'-N-oxide
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Investigative | Compound Info | ||
| Synonyms |
nicotine N'-oxide; Oxynicotine; Nicotine-N'-oxide; N-Oxynicotine; Nicotine 1'-N-oxide; 3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine; Nicotine, 1'-oxide; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidine 1-oxide; (1'S,2'S)-Nicotine 1'-Oxide; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N-oxide, (2s)-; CCRIS 7627; Nicotine EP Impurity E; (s)-nicotine-N'-oxide; Nicotine Related Compound E; Pyridine, 3-[(1S,2S)-1-methyl-1-oxido-2-pyrrolidinyl]-; (S)-nicotine N(1')-oxide; SCHEMBL6557005; CHEMBL3544718; CTK1G5453; ZINC5419310; AKOS006273144; 3-[(2S)-1-methyl-1-oxidopyrrolidin-2-yl]pyridine; Q27272930; Pyridine, 3-((2S)-1-methyl-1-oxido-2-pyrrolidinyl)-; (1RS,2S)-1-Methyl-2-(pyridin-3-yl)pyrrolidine 1-Oxide (Nicotine N'-Oxide)
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
N-Methylanabasine
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Investigative | Compound Info | ||
| Synonyms |
Methylanabasine; 3-[(2S)-1-methylpiperidin-2-yl]pyridine; UNII-6F89FI7JTI; 6F89FI7JTI; Pyridine, 3-(1-methyl-2-piperidinyl)-, (S)-; (S)-3-(1-Methyl-2-piperidinyl)pyridine; Anabasine, 1-methyl-; 3-(1-methyl-2-piperidyl)pyridine; 1-Methyl-2-(3-pyridinyl)piperidine #; (-)-Methylanabasine; S-(-)-Methylanabasine; SCHEMBL3612339; CHEMBL3640783; BDBM109781; ZINC517556; AKOS006273453; US8609708, 94 N-Methylanabasine; AB07625; (S)-3-(1-methylpiperidin-2-yl)pyridine; Pyridine, 3-[(2S)-1-methyl-2-piperidinyl]-; Q63395581
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||||
| Activity |
IC50 > 400000 nM
|
[19] | |||
| Compound Name |
3-(1-Benzyl-4,5-dihydroimidazol-2-yl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
MLS-0091914.0001; CHEMBL1601461; SCHEMBL13035240; BDBM45882; cid_16654682; 3-(1-benzyl-2-imidazolin-2-yl)pyridine; 3-[1-(phenylmethyl)-4,5-dihydroimidazol-2-yl]pyridine
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| Activity |
IC50 > 400000 nM
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[19] | |||
| Compound Name |
2-(4-Chlorophenyl)-3-hydroxy-8-phenylquinoline-4-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL218583; CTK3F8511; DTXSID30582748; BDBM50201901; 2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-carboxylicacid; 4-Quinolinecarboxylic acid, 2-(4-chlorophenyl)-3-hydroxy-8-phenyl-
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| Activity |
IC50 = 500000 nM
|
[30] | |||
| Compound Name |
5-(3-{[1-(Benzylsulfonyl)piperidin-4-Yl]amino}phenyl)-4-Bromo-3-(Carboxymethoxy)thiophene-2-Carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL541214; SCHEMBL3904696; BDBM50219566; ZINC14210715; Q27455409
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| Activity |
IC50 > 500000 nM
|
[31] | |||
| Compound Name |
(+)-Nicotine
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Investigative | Compound Info | ||
| Synonyms |
D-Nicotine; Pseudonicotine; (R)-nicotine; 2'-beta-H-Nicotine; (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine; 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine; UNII-42XNU684Z1; CHEMBL9732; Pyridine, 3-[(2R)-1-methyl-2-pyrrolidinyl]-; 42XNU684Z1; NCGC00163360-01; DSSTox_CID_26351; DSSTox_RID_81554; DSSTox_GSID_46351; Nicotine, (+)-; Nicotine-D salicylate; (R)-(+)-Nicotine; R-(+)-Nicotine; 5-23-06-00064 (Beilstein Handbook Reference); BRN 4666243; Nicotine-L salicylate; SCHEMBL20518; ZINC1798; DTXSID0046351; BDBM82068; CTK8F1471; Tox21_112053; MFCD01711784; PDSP1_000557; PDSP2_000113; AKOS006238318; Tox21_112053_1; AB05474; NCGC00090693-11; NCGC00163360-02; AC-12917; B4963; N2703; C16386; J-015844; Q27119762; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (R)- (9CI)
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| Activity |
IC50 = 580000 nM
|
[20] | |||
| Compound Name |
1,2,3,6,7-Pentachloronaphthalene
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Investigative | Compound Info | ||
| Synonyms |
Naphthalene, 1,2,3,6,7-pentachloro; Naphthalene, 1,2,3,6,7-pentachloro-; CHEMBL195537; 1,2,3,6,7-Pentachloro-naphthalene; PCN-54; DTXSID00164499; BDBM50159246
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| Activity |
IC50 > 600000 nM
|
[20] | |||
| Compound Name |
1-Phenethyl-1H-imidazole
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Investigative | Compound Info | ||
| Synonyms |
1-phenethylimidazole; 1-(2-phenylethyl)-1H-imidazole; 1-(2-phenylethyl)imidazole; N-phenethylimidazole; 1H-Imidazole, 1-(2-phenylethyl)-; 1-(Phenylethyl)imidazole; SCHEMBL409741; CHEMBL385589; CTK4J1730; DTXSID60436861; BDBM140266; 1H-Imidazole,1-(2-phenylethyl)-; BCP10941; ANW-67227; MFCD11977663; AKOS009098278; ZINC100004509; MCULE-1638802515; QC-8278; AS-47298; FT-0698479; P2065; Y1127; US8906943, 11; 823P145; 1-Phenethylimidazole/1-(2-Phenylethyl)-1H-imidazole
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| Activity |
IC50 = 618000 nM
|
[29] | |||
| Compound Name |
3-(1H-Imidazol-4-yl)pyridine
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Investigative | Compound Info | ||
| Synonyms |
3-(1H-imidazol-5-yl)pyridine; 3-(5-Imidazolyl)pyridine; 4-(3-Pyridyl)imidazole; Pyridine, 3-(1H-imidazol-4-yl)-; CHEMBL178516; 3-(3H-imidazol-4-yl)-pyridine; 5(4)-3'-Pyridyl-glyoxaline; BRN 0003724; 4pyridin-3-yl-imidazole; 5-(3-pyridyl)imidazole; 3-(4-imidazolyl)pyridine; 4-pyridin-3-yl-imidazole; 5-[Pyridin-3-yl]imidazole; 4-26-00-00176 (Beilstein Handbook Reference); JMC514968 Compound 7; SCHEMBL464452; BDBM12357; CTK4J4760; CTK5J6616; KS-00000JFZ; DTXSID20199682; 3-(1H-Imidazol-4-yl)-pyridine; BCP09804; Pyridine,3-(1H-imidazol-5-yl)-; ANW-74866; BBL102223; MFCD10565593; Pyridine, 3-(1H-imidazol-5-yl)-; SBB086411; STL556022; ZINC13607121; AKOS006237191; AKOS015962782; nicotine 3-heteroaromatic analogue 10; CS-W021752; VP11174; AC-17591; AK-35428; MS-20400; SC-12023; 2-(TRIPHENYLPHOSPHONIO)ETHYLCHLORO-; AM20061273; FT-0670298; US8609708,14; US8609708, 14; 746I851; A828746; J-513404
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| Activity |
IC50 = 800000 nM
|
[29] | |||
| Compound Name |
2,4-Dimethylquinoline
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Investigative | Compound Info | ||
| Synonyms |
Quinoline, 2,4-dimethyl-; 4-Methylquinaldine; 2,4-Dimethyl-quinoline; UNII-7JL3KN3WTD; 7JL3KN3WTD; CHEMBL192418; MFCD00006760; Q63396589; NSC62132; EINECS 214-832-9; NSC 62132; PubChem5875; Quinoline,4-dimethyl-; AI3-08881; ACMC-1BQ9J; 24-DIMETHYLQUINOLINE; SCHEMBL89010; DTXSID0061610; ZINC1691032; ANW-17386; BDBM50159255; NSC-62132; STK052042; AKOS003234826; MCULE-2106069182; KS-000013L4; NCGC00188146-01; NCGC00188146-02; AK-54599; DS-14571; SC-58100; DB-020000; AM20050707; D1237; FT-0610188; ST50824638; Y3188; 198D374; A804370
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| Activity |
IC50 = 829850.77 nM
|
[18] | |||
| Compound Name |
6,7-Dimethoxy-2-tetralone
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Investigative | Compound Info | ||
| Synonyms |
6,7-Dimethoxy-3,4-dihydronaphthalen-2(1H)-one; 6,7-Dimethoxy-3,4-dihydro-1H-naphthalen-2-one; 6,7-dimethoxyl-2-tetralone; 2(1H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-; CHEMBL192267; 6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-one; 2(1H)-Naphthalenone,3,4-dihydro-6,7-dimethoxy-; SODIUMAMMONIUMPHOSPHATE; SCHEMBL2241521; CTK4F4248; KS-00001DKT; DTXSID50346127; ACT06678; BCP28246; CS-B0117; ZINC4203398; 3363AH; BDBM50159276; AKOS015902219; MCULE-3138140627; NE63587; SB36162; VZ30590; CS-13390; SC-21179; DB-007112; FT-0600508; ST50319781; 6,7-dimethoxy-1,3,4-trihydronaphthalen-2-one; 3,4-dihydro-6,7-dimethoxy-2(1H)-naphthalenone; 472D131; 6,7-Dimethoxy-3,4-dihydro-2(1H)-naphthalenone; A817467; 6,7-Dimethoxy-3,4-dihydro-2(1H)-naphthalenone #; 6,7-dimethoxy 1,2,3,4-tetrahydro naphthalene 2-one
Click to Show/Hide
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| Activity |
IC50 = 1999861.87 nM
|
[18] | |||
| Compound Name |
1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
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Investigative | Compound Info | ||
| Synonyms |
rac Cotinine; 1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one; 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-; S-(-)-Cotinine; CHEMBL664; 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-; (-)-Cotinine;(S)-Cotinine;NIH-10498; rac-Cotinine; (+-)-Cotinine; NCGC00093739-04; 1-methyl-5-pyridin-3-ylpyrrolidin-2-one; SCHEMBL49061; DTXSID6047577; BDBM82069; CTK8G2782; HMS3370B20; HMS3393A15; COTININE(15% OF THE DOSE); MFCD00010105; NSC_21906; AKOS026750058; MCULE-3907986603; NCGC00015249-02; NCGC00015249-03; NCGC00093739-01; NCGC00093739-02; NCGC00093739-03; NCGC00093739-05; NCGC00093739-06; NCGC00093739-07; NCGC00093739-09; NCGC00093739-10; NCGC00094632-01; NCGC00094632-02; 1-Methyl-5-(3-pyridyl)pyrrolidin-2-one; BP-21994; DB-070947; FT-0624074; FT-0665181; FT-0665182; FT-0665183; FT-0665184; FT-0695369; 1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE; J-009215
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||||
| Activity |
IC50 = 34994516.7 nM
|
[18] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
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