Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56143 | Target Info | |||
| Target Name | Kynurenic acid receptor (GPR35) | ||||
| Synonyms |
KYNA receptor; Gprotein coupled receptor 35; GPR35
Click to Show/Hide
|
||||
| Target Type | Literature-reported Target | ||||
| Gene Name | GPR35 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 37 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Entacapone
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Comtan; Comtess; Entacapona; Entacaponum; Novartis brand of entacapone; Orion brand of entacapone; KB475572; OR 611; COM-998; Comtan (TN); Entacapona [INN-Spanish]; Entacapone [USAN:INN]; Entacaponum [INN-Latin]; OR-611; Stalevo (TN); Entacapone (JAN/USAN/INN); N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide; (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; (E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide; (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide; (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide; 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide
Click to Show/Hide
|
||||
| Activity |
EC50 = 65600 nM
|
[1] | |||
| Compound Name |
2-oxo-2H-chromene-3-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Coumarin-3-carboxylic acid; 531-81-7; 2-Oxo-2H-chromene-3-carboxylic acid; 3-Carboxycoumarin; 2-Oxochromene-3-carboxylic acid; 2-Oxobenzopyran-3-carboxylic acid; G 1 (rodenticide); 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-; 2-Oxo-2H-1-benzopyran-3-carboxylic acid; UNII-V85UOV8788; G 1 (VAN); G 1 (The rodenticide) (VAN); EINECS 208-518-0; NSC 14797; NSC 53239; BRN 0154276; CHEMBL83294; Malonic acid, salicylidene-, delta-lactone; AI3-36066; ACMLKANOGIVEPB-UHFFFAOYSA-N; V85UOV8788; NSC53239; MFCD00006852; G 1 (The rodenticide); WLN:
Click to Show/Hide
|
||||
| Activity |
EC50 = 92260 nM
|
[2] | |||
| Compound Name |
3,5-Dinitrocatechol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
3,5-dinitrocatechol; 3,5-dinitrobenzene-1,2-diol; 7659-29-2; 3,5-Dinitro-1,2-benzenediol; OR-486; 3,5-Dinitropyrocatechol; OR486; UNII-VK0VA22GY2; Pyrocatechol, 3,5-dinitro-; 1,2-Benzenediol, 3,5-dinitro-; BRN 2217246; VK0VA22GY2; 3,5-DINITROCATECHOL (OR-486); CHEMBL168276; 3,5-DINITRO-BENZENE-1,2-DIOL; DNC; SR-01000075610; OR 486; Ro 12812; Ro 01-2812; Tocris-0483; Spectrum_000187; Lopac-D-131; AC1MZC4M; Spectrum4_000747; Spectrum2_001109; Spectrum5_001163; Entacapone EP Impurity E; 3,5-Dinitrocatechol, solid; Lopac0_000477
Click to Show/Hide
|
||||
| Activity |
EC50 = 123000 nM
|
[1] | |||
| Compound Name |
TRANSTORINE
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
kynurenic acid; 492-27-3; 4-Hydroxyquinoline-2-carboxylic acid; 13593-94-7; Kynurenate; Quinurenic acid; 4-oxo-1,4-dihydroquinoline-2-carboxylic acid; Transtorine; Kynuronic acid; Kinurenic acid; 4-Hydroxyquinaldic acid; 4-Hydroxy-2-quinolincarboxylic acid; 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid; 2-Quinolinecarboxylic acid, 4-hydroxy-; 4-Hydroxyquinaldinic acid; 4-Hydroxy-2-quinolinecarboxylic acid; Quinaldic acid, 4-hydroxy-; NSC 58973; 4-oxo-1H-quinoline-2-carboxylic acid; UNII-H030S2S85J; KYNA; CCRIS 4428; NSC58973
Click to Show/Hide
|
||||
| Activity |
Ki = 137000 nM
|
[3] | |||
| Compound Name |
Dithieno[3,2-b:2',3'-d]thiophene-2-carboxylic acid, 5-methyl-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914587; SCHEMBL405821; BDBM50357193; 3-methyldithieno[2,3-a:2',3'-d]thiophene-6-carboxylic acid
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
2-(3-Cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914584; 2-(3-Cyano-4,5,5-trimethylfuran-2(5H)-ylidene)malononitrile; 2-(3-cyano-4,5,5-trimethyl-5H-furan-2-ylidene)malononitrile; 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)propanedinitrile; 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene]propanedinitrile; SCHEMBL404983; CTK0E4728; DTXSID60433759; BCP32004; BDBM50357195; ZINC73195712; CS-0129090; FT-0700827; FT-0700830; FT-0700831; FT-0700832; 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)malononitrile; 2-(3-cyano-4,5,5-trimethyl-5H-furan-2-ylidene)-malononitrile; 2-dicyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran; 3-cyano-2-dicyanomethylen-4,5,5-trimethyl-2,5-dihydrofuran; 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene) propanedinitrile; Propanedinitrile, (3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)-
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
3-Bromo-6-octylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914589; SCHEMBL406794; BDBM50357191
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
3-Hexylthieno[3,2-b]thiophene-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914585; SCHEMBL1157036; BDBM50357203; ZINC35091539; 6-hexylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
6-Hexyl-thieno[3,2-b]thiophene-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914586; SCHEMBL406954; BDBM50357194; ZINC73162602; 3-hexylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
2-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914578; SCHEMBL406234; BDBM50357201; MFCD29917027; CS-0047235; 2-(3-cyano-4-methyl-5-phenyl-5-trifluoromethyl-5H-furan-2-ylidene)malononitrile
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
[3-Cyano-4-methyl-1-oxaspiro[4.5]deca-3-ene-2-ylidene]malononitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914582; SCHEMBL10175501; BDBM50357197
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Laccaic acid A
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037378; Laccacid Acid A; SCHEMBL2134468; DTXSID00936173; BDBM50384789; ZINC61389537; CCG-214262; SR-05000002742; SR-05000002742-1; Q27162387
Click to Show/Hide
|
||||
| Activity |
EC50 = 51500 nM
|
[5] | |||
| Compound Name |
3-Cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037461; BDBM50385235
Click to Show/Hide
|
||||
| Activity |
EC50 = 52400 nM
|
[6] | |||
| Compound Name |
6-Methyl-3-(1H-pyrazol-4-yl)thieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037464; BDBM50385238
Click to Show/Hide
|
||||
| Activity |
EC50 = 52500 nM
|
[6] | |||
| Compound Name |
2,5-Dinitrophenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Phenol, 2,5-dinitro-; gamma-Dinitrophenol; 2,5-DNP; 2,5-Dinitrofenol; Phenol, .gamma.-dinitro-; UNII-HSD25Q268Z; .gamma.-Dinitrophenol; HSD25Q268Z; Phenol, gamma-dinitro-; 2,5-Dinitrofenol [Czech]; CCRIS 3103; 2,5-Dinitro-Phenol; HSDB 6304; EINECS 206-348-1; NSC 90441; BRN 1913411; 2,5-Dinitrophenol (betta ); WLN: WNR BQ DNW; ACMC-1CP8T; 2,5-Dinitrophenol, 97%; SCHEMBL547995; CHEMBL107513; DTXSID9022021; SCHEMBL17347349; CTK1C2465; NSC90441; ZINC3876088; 7606AF; MFCD00007108; NSC-90441; STK399770; AKOS003247471; MCULE-7627258699; VZ22822; SC-21395; DB-020135; D0841; FT-0631965; A821536; Q15726130; F0001-0975
Click to Show/Hide
|
||||
| Activity |
EC50 = 52600 nM
|
[1] | |||
| Compound Name |
2-[3-Cyano-5-(2,4-difluorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1914583; SCHEMBL406246; BDBM50357196
Click to Show/Hide
|
||||
| Activity |
EC50 = 53900 nM
|
[4] | |||
| Compound Name |
(3,4-Dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Ro 41-0960; 2'-fluoro-3,4-dihydroxy-5-nitrobenzophenone; UNII-SXV6U29ZOI; SXV6U29ZOI; MLS002153480; SMR000326831; OR 1139; SR-01000075645; Ro41-0960; Ro-41-0960; Lopac-R-108; Lopac0_001044; Ro 41-0960, solid; SCHEMBL6036458; (3,4-dihydroxy-5-nitrophenyl)-(2-fluorophenyl)methanone; CHEMBL1256291; AOB5064; DTXSID20154812; BDBM138363; HMS2234A07; HMS3263A10; HMS3371P20; Methanone, (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)-; Tox21_501044; MFCD00078597; ZINC36384898; AKOS024418847; RO 41-0960 COMT INHIBITOR; CCG-205121; LP01044; MCULE-5815188503; Ro-410960; SDCCGSBI-0051014.P002; NCGC00015881-01; NCGC00015881-02; NCGC00015881-03; NCGC00015881-04; NCGC00015881-07; NCGC00094329-01; NCGC00094329-02; NCGC00261729-01; EU-0101044; R-108; US8877795, Ro 41-0960; SR-01000075645-2; SR-01000075645-6; SR-01000075645-7; Q27453915; (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)-Methanone
Click to Show/Hide
|
||||
| Activity |
EC50 = 54400 nM
|
[1] | |||
| Compound Name |
3-Ethynyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037460; BDBM50385234
Click to Show/Hide
|
||||
| Activity |
EC50 = 54800 nM
|
[6] | |||
| Compound Name |
Thieno[3,2-b]thiophene-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
thieno[3,2-b]thiophene-5-carboxylic acid; MLS000036934; Thieno[3,2-b]thiophene-2-carboxylicacid; C7H4O2S2; SMR000034684; thiopheno[3,2-b]thiophene-2-carboxylic acid; zlchem 802; Maybridge3_006605; SCHEMBL335232; thienothiophene carboxylic acid; cid_660319; THI073; CHEMBL1173787; BDBM48329; CTK0H1676; DTXSID90349773; ZLD0261; HMS1449M05; HMS2316P13; ZINC107891; ACT06135; 8868AA; ANW-74303; CCG-51876; MFCD00115174; RSC005341; SBB053533; STL356208; AKOS001475971; FS-1744; MCULE-9074494739; VT20436; IDI1_017992; KS-00000L83; 5-thieno[3,2-b]thiophenecarboxylic acid; NCGC00019959-01; NCGC00019959-02; AK-63502; SC-90437; DB-043894; EU-0047810; FT-0633796; ST50949672; EN300-51369; J-010811; SR-01000001856-2; Q27463950; Thieno[3,2-b]thiophene-2-carboxylic acid, AldrichCPR; Z1741965022
Click to Show/Hide
|
||||
| Activity |
IC50 = 57000 nM
|
[4] | |||
| Compound Name |
2,3-Dinitrophenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Phenol, 2,3-dinitro-; 2,3-DNP; anti-dinitrophenol; UNII-735M30625H; 735M30625H; 2,3-Dinitrofenol [Czech]; 2,3-Dinitrofenol; CCRIS 3101; EINECS 200-628-7; NSC 156083; BRN 2213580; Phenol,3-dinitro-; NSC156083; 2,3-Dinitro-phenol; ACMC-1BCZA; WLN: WNR CQ BNW; SCHEMBL16979; 4-06-00-01369 (Beilstein Handbook Reference); CHEMBL3347393; DTXSID2075261; CTK1A2091; ZINC3875434; AKOS015912555; AKOS016013016; NSC-156083; AC-24718; SC-25488; AB0071769; DB-019792; FT-0631292; 16617-EP2281563A1; 16617-EP2316459A1; 33147-EP2292630A1; 33147-EP2311815A1; Q19949845; 2,3-Dinitrophenol, moistened with water, >=98.0% (HPLC)
Click to Show/Hide
|
||||
| Activity |
EC50 = 58500 nM
|
[1] | |||
| Compound Name |
5,6-Dihydroxy-3-thiophen-3-yl-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086422; SCHEMBL14702927; BDBM50420397
Click to Show/Hide
|
||||
| Activity |
EC50 = 61200 nM
|
[7] | |||
| Compound Name |
5,6-Dihydroxy-1-methyl-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089192; 1H-Indole-2-carboxylicacid, 5,6-dihydroxy-1-methyl-; 5,6-DIHYDROXY-1-METHYLINDOLE-2-CARBOXYLIC ACID; ACMC-20mrzr; SCHEMBL11783996; CTK0H0225; DTXSID50578183; BDBM50420377; AK358689; DB-118225; 1H-Indole-2-carboxylicacid,5,6-dihydroxy-1-methyl-(9CI)
Click to Show/Hide
|
||||
| Activity |
EC50 = 64200 nM
|
[7] | |||
| Compound Name |
alpha-Cyano-4-hydroxycinnamic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
alpha-Cyano; a-Cyano-4-hydroxycinnamic acid; 2-Cyano-3-(4-hydroxyphenyl)acrylic acid; (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid; alpha-CHCA; alpha-cyano-4-hydroxy-cinnamic acid; (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid; MFCD00004204; 1-carboxy-1-cyano-2-(4-hydroxyphenyl)ethylene; Q63391607; 4-HCCA; alpha-CCA; 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-; Spectrum5_001633; 2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid; SCHEMBL26825; BSPBio_002260; MLS002207285; CHEMBL76602; (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid; BDBM4350; HMS500K21; DTXSID501018295; ZINC155109; BBL103553; CCG-39475; GEO-00838; s8612; SBB057160; STL557363; .alpha.-Cyano-4-hydroxycinnamic acid; AKOS000145566; IDI1_000219; NCGC00094622-01; NCGC00094622-02; alpha-Cyano-4-hydroxybenzenepropenoic acid; alpha-Cyano-4-hydroxycinnamic acid, 97%; alpha-Cyano-4-hydroxycinnamic acid, 99%; benzylidenemalononitrile (BMN) deriv. 34; BS-16413; SMR001306800; 2-Cyano-3-(4-hydroxyphenyl)propenoic acid; HY-107641; CS-0029043; ST50997515; A819766; (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid; BRD-K60302405-001-02-9; BRD-K60302405-001-04-5; (2E)-2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid #; alpha-Cyano-4-hydroxycinnamic acid, >=98% (TLC), powder; alpha-Cyano-4-hydroxycinnamic acid, purum, >=99.0% (HPLC); alpha-Cyano-4-hydroxycinnamic acid, suitable for MALDI-TOF MS; alpha-Cyano-4-hydroxycinnamic acid, matrix substance for MALDI-MS, Ultra pure
Click to Show/Hide
|
||||
| Activity |
EC50 = 70700 nM
|
[5] | |||
| Compound Name |
4-Bromo-2-(1H-tetrazol-5-yl)aniline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
4-Bromo-2-(1H-tetrazol-5-yl)-phenylamine; 4-Bromo-2-(5-tetrazolyl)aniline; 4-bromo-2-(2H-tetrazol-5-yl)aniline; CHEMBL4161599; MFCD17215772; SCHEMBL2838019; SCHEMBL20552533; 5-(2-amino-5-bromophenyl)tetrazole; BDBM50322912; ZINC34542985; AKOS017557479; 5-(2'-amino-5'-bromophenyl) tetrazole; SY038808; 4-Bromo-2-(1H-tetrazol-5-yl)phenylamine; Z0462; 4-bromo-2-(1H-tetrazol-5-yl)-phenyl amine; Q-8677; 4-bromo-2-(1H-1,2,3,4-tetrazol-5-yl)aniline; Z2696618800
Click to Show/Hide
|
||||
| Activity |
IC50 = 75340 nM
|
[8] | |||
| Compound Name |
3-(3-Carboxyphenyl)-5,6-dihydroxy-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089220; SCHEMBL14702995; BDBM50420390
Click to Show/Hide
|
||||
| Activity |
EC50 = 75700 nM
|
[7] | |||
| Compound Name |
2,6-Dinitrophenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
o-Dinitrophenol; Phenol, 2,6-dinitro-; beta-Dinitrophenol; Dinitro-2,6-phenol; 2,6-DNP; 2,6-Dinitrofenol; UNII-F4QM4I92KC; .beta.-Dinitrophenol; Phenol, .beta.-dinitro-; F4QM4I92KC; Phenol, beta-dinitro-; 2,6-Dinitrofenol [Czech]; CCRIS 3104; HSDB 6306; NSC 6215; EINECS 209-357-9; BRN 1913410; 2,6-dinitro phenol; PubChem4116; WLN: WNR BQ CNW; ACMC-1AS9I; Epitope ID:161741; 2,6-Dinitrophenol, 95%; ARONIS023625; SCHEMBL1077970; CHEMBL3278560; DTXSID5022063; CTK1G9589; NSC6215; NSC-6215; 7607AF; ANW-43815; BBL023507; STL355968; ZINC12358884; AKOS000274520; MCULE-2956373196; AS-40741; SC-65246; AB0115099; DB-020252; BB 0259250; FT-0610716; T7993; 2,6-Dinitrophenol 10 microg/mL in Acetonitrile; Q20856130
Click to Show/Hide
|
||||
| Activity |
EC50 = 76000 nM
|
[1] | |||
| Compound Name |
1-Ethyl-5,6-dihydroxyindole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089193; SCHEMBL14702784; BDBM50420378
Click to Show/Hide
|
||||
| Activity |
EC50 = 77100 nM
|
[7] | |||
| Compound Name |
4,6-Dinitro-O-cresol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-Methyl-4,6-dinitrophenol; Antinonnin; Sinox; Dinitrocresol; Winterwash; Antinonin; Arborol; Capsine; Degrassan; Dekrysil; Dinitro; Dinitrol; Dinurania; Ditrosol; Effusan; Elgetol; Hedolit; Hedolite; Kresamone; Nitrador; Nitrofan; Prokarbol; Raphatox; Sandolin; Selinon; Trifocide; Detal; Dillex; Dinoc; Elipol; Extrar; Lipan; Rafex; Dinitrodendtroxal; 2,4-Dinitro-6-methylphenol; 6-Methyl-2,4-dinitrophenol; Sandolin A; 2-methyl-4,6-dinitro-phenol; 3,5-Dinitro-2-hydroxytoluene; Krezotol 50; Elgetol 30; Trifrina; Kresonite-E; Rafex 35; Dn-dry mix no. 2; Effusan 3436; Chemsect DNOC; Dwunitro-o-krezol; 2,4-Dinitro-o-cresol; K III; 4,6-Dinitrokresol; Oranz viktoria; Phenol, 2-methyl-4,6-dinitro-; Le dinitrocresol-4,6; Zahlreiche bezeichnungen; 4,6-Dinitro-o-kresol; 4,6-Dinitro-o-cresolo; Rcra waste number P047; o-Cresol, 4,6-dinitro-; ENT 154; Dinitro-ortho-cresol; UNII-1604ZJR09T; C.I. 10310; 1604ZJR09T; NCGC00091775-03; Kreozan; Flavin-Samdoz; DSSTox_CID_2053; DSSTox_RID_76471; DSSTox_GSID_22053; Neudorff DN 50; DNOK [Czech]; Caswell No. 390; Oranz viktoria [Czech]; Dinitro-o-cresol (VAN); DNOC (2-Methyl-4,6-dinitrophenol); DNOC [BSI:ISO]; Dwunitro-o-krezol [Polish]; 4,6-Dinitrokresol [Dutch]; o-Cresol, 4,6,-dinitro-; DNOC (pesticide); CCRIS 6822; 4,6-Dinitro-o-kresol [Czech]; LE dinitrocresol-4,6 [French]; HSDB 1596; Zahlreiche bezeichnungen [German]; 4,6-Dinitro-o-cresolo [Italian]; Dinitro-o-cresol, solid; Toluene, 3,5-dinitro-2-hydroxy-; NSC 2082; EINECS 208-601-1; UN1598; RCRA waste no. P047; Dinitro-o-cresol, solution; EPA Pesticide Chemical Code 037507; BRN 2054389; Dinitrosol; 4,6-Dinitro-2-methylphenol; Elgetox; Detol; Dinok; Dinitro Cresol; AI3-00154; AI3-01567; Flavin-Sandoz; 4,6-Dinitro-o-cresol, and salts; 4,6-Dinitrocresol; o-Cresol,6-dinitro-; Phenol, 2-methyl-4,6-dinitro-, and salts; EC 208-601-1; NCIOpen2_004211; SCHEMBL20734; Dinitromethyl cyclohexyltrienol; WLN: WNR BQ C1 ENW; 4,6-DNOC; CHEMBL419564; DTXSID1022053; NSC2082; DNOC 100 microg/mL in Methanol; Phenol, 2-methyl, 4,6-dinitro-; Phenol, 2-methyl-4,6-dinitro-,; NSC-2082; DNOC 10 microg/mL in Acetonitrile; Tox21_300327; Tox21_400068; BBL005491; SBB057255; STK295371; ZINC12405045; AKOS000120494; MCULE-2404871763; NCGC00091775-01; NCGC00091775-02; NCGC00091775-04; NCGC00091775-05; NCGC00254265-01; AC-13097; DNOC, PESTANAL(R), analytical standard; BB 0244855; D0828; FT-0617271; H2773; ST50308330; C18653; Dinitro-o-cresol, solid [UN1598] [Poison]; 2-Methyl-4,6-dinitrophenol, analytical standard; 33149-EP2275422A1; 33149-EP2305655A2; 33149-EP2311815A1; 33149-EP2371823A1; A829601; Dinitro-o-cresol, solution [UN1598] [Poison]; Q209437; W-105735
Click to Show/Hide
|
||||
| Activity |
EC50 = 81100 nM
|
[1] | |||
| Compound Name |
5,6-Dihydroxy-3-pyridin-3-yl-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089219; SCHEMBL14703002; BDBM50420389
Click to Show/Hide
|
||||
| Activity |
EC50 = 84000 nM
|
[7] | |||
| Compound Name |
3-Bromo-4,6-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037468; BDBM50385242
Click to Show/Hide
|
||||
| Activity |
EC50 = 87500 nM
|
[6] | |||
| Compound Name |
3-Methyl-DHTCA
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089228; SCHEMBL14703004; BDBM50420387
Click to Show/Hide
|
||||
| Activity |
EC50 = 90600 nM
|
[7] | |||
| Compound Name |
3-(3,5-Difluorophenyl)-5,6-dihydroxy-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089223; SCHEMBL14702792; BDBM50420393
Click to Show/Hide
|
||||
| Activity |
EC50 = 109000 nM
|
[7] | |||
| Compound Name |
3,4-Dinitrophenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Phenol, 3,4-dinitro-; 3,4-Dinitrofenol; 3,4-DNP; UNII-I108F156M4; I108F156M4; 6,5-Dinitrophenol; CCRIS 3105; 3,4-Dinitrofenol [Czech]; EINECS 209-415-3; BRN 1969398; zlchem 950; 3,4-dinitro phenol; ACMC-1AY8J; 4-06-00-01384 (Beilstein Handbook Reference); SCHEMBL213758; CHEMBL3347427; CTK1H3308; DTXSID80206407; ZLD0416; BCP25455; ZINC4521448; 8530AB; AKOS015888235; DB-021953; FT-0632424; A831591; Q20856197; 3,4-Dinitrophenol, moistened with water, >=97.0% (HPLC)
Click to Show/Hide
|
||||
| Activity |
EC50 = 112000 nM
|
[1] | |||
| Compound Name |
3-Bromo-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037465; BDBM50385239
Click to Show/Hide
|
||||
| Activity |
EC50 = 113000 nM
|
[6] | |||
| Compound Name |
3-Cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037467; BDBM50385241
Click to Show/Hide
|
||||
| Activity |
EC50 = 119000 nM
|
[6] | |||
| Compound Name |
5,6-Dihydroxy-3-methyl-1-benzofuran-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089226; 3-methyl-DHFCA; SCHEMBL14703003; CTK1A0937; DTXSID50667142; BDBM50420396; DB-118226; 5,6-Dihydroxy-3-methylbenzofuran-2-carboxylic acid; 2-Benzofurancarboxylicacid, 5,6-dihydroxy-3-methyl-; 5,6-dihydroxy-3-methyl-2-benzofuran carboxylic acid
Click to Show/Hide
|
||||
| Activity |
EC50 = 133000 nM
|
[7] | |||
| Compound Name |
3-Bromo-5,6-dihydroxy-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089199; BDBM50420383
Click to Show/Hide
|
||||
| Activity |
EC50 = 166000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 7 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2,4-Dinitrophenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Phenol, 2,4-dinitro-; Aldifen; Solfo Black B; Tertrosulphur PBR; Solfo Black G; alpha-Dinitrophenol; 1-Hydroxy-2,4-dinitrobenzene; Nitro kleenup; DINITROPHENOL; Fenoxyl carbon N; Chemox PE; Solfo Black BB; Solfo Black SB; Dinitrofenolo; Dinofan; 2,4-Dnp; Tertrosulphur Black PB; Solfo Black 2B Supra; 2,4-Dinitrofenol; Maroxol-50; Sulphur Black 1; RCRA waste number P048; NSC 1532; .alpha.-Dinitrophenol; EK 102; UNII-Q13SKS21MN; 2,4-dinitro-phenol; Tertrosulfur pbr; Phenol, .alpha.-dinitro-; Q13SKS21MN; NSC-1532; MFCD00007115; DSSTox_CID_523; Osmoplastic-R; Osmotox-Plus; Tertrosulfur black pb; DSSTox_RID_75640; DSSTox_GSID_20523; Nitrophen (VAN); Nitrophene (VAN); Camello mosquito coils; Caswell No. 392; Dinitrofenolo [Italian]; Phenol, alpha-dinitro-; 2,4-Dinitrofenol [Dutch]; 1'alpha-2,4-Dinitrophenol; Cobra salts (Impregna salts); Shirakiku brand mosquito coils; CCRIS 3102; HSDB 529; EINECS 200-087-7; RCRA waste no. P048; EPA Pesticide Chemical Code 037509; AI3-01535; PubChem11250; Spectrum_001934; SpecPlus_000938; Spectrum2_000673; Spectrum3_001694; Spectrum4_000913; Spectrum5_001670; WLN: WNR BQ ENW; Epitope ID:112424; EC 200-087-7; SCHEMBL77643; BSPBio_003248; KBioGR_001406; KBioSS_002480; SPECTRUM330008; MLS001066358; BIDD:ER0505; DivK1c_007034; SPBio_000765; ARONIS010084; CHEMBL273386; SR-1C5; DTXSID0020523; SCHEMBL13973810; CTK1G9509; KBio1_001978; KBio2_002473; KBio2_005041; KBio2_007609; KBio3_002468; NSC1532; HMS1923K21; HMS2233H07; HMS3372P06; HMS3867N13; KS-000041JJ; Tox21_201462; Tox21_300030; ANW-46655; BBL023448; CCG-39730; STK397797; ZINC12358776; AKOS000118988; AKOS015912556; DB04528; MCULE-6678680789; NE10472; NCGC00091778-01; NCGC00091778-02; NCGC00091778-03; NCGC00091778-04; NCGC00091778-05; NCGC00091778-06; NCGC00254114-01; NCGC00259013-01; 2,4-dinitrophenol (h2o w/w 18% max); AS-39888; SC-81242; SMR000471854; D0109; 2,4-Dinitrophenol (wetted with 15 % water); 9456-EP2284174A1; 9456-EP2316829A1; C02496; AB00053210_08; 2,4-Dinitrophenol, SAJ special grade, >=98.0%; AF-936/31262030; Q209226; 2,4-Dinitrophenol, moistened with water, >=98.0%; W-105909; 2,4-Dinitrophenol, 96%, stab. with min. 15% water; BRD-K21910317-001-02-4; BRD-K21910317-001-06-5; BRD-K21910317-001-12-3; F0850-6525
Click to Show/Hide
|
||||
| Activity |
EC50 = 272000 nM
|
[1] | |||
| Compound Name |
Firefly luciferin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
D-Luciferin; Luciferin; (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid; Photinus luciferin; D(-)-LUCIFERIN; UNII-5TBB02N29K; (S)-4,5-Dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid; CHEMBL443738; 5TBB02N29K; C11H8N2O3S2; firefly luciferin (ketone tautomer); D-(-)-Luciferin; D-firefly luciferin; (S)-4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid; (4S)-2-(6-Hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid; MFCD00042929; (S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid; D-Luciferin, Potassium Salt; D-Luciferin free acid, 99%; (S)-2-(6-Hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid; D-Luciferin Firefly; EINECS 219-981-3; Luciferin (firefly); D-Luciferin Free Acid; D-Luciferin, synthetic; SCHEMBL49401; SCHEMBL565455; CTK1A2267; DTXSID00894865; EX-A617; KS-00000G3T; ZINC2584195; ANW-43638; BDBM50440036; HY-12591A; s7763; TD8085; ZINC20230679; ZINC20230681; AKOS015916008; ZINC255979881; AC-8545; CCG-267246; CS-4970; (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid; (2Z,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid; 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (S)-; AS-54711; ST50405784; Z5789; A13789; C02740; L-8200; D-Luciferin, synthetic, BioXtra, >=99% (HPLC); Q3265801; Q63390514; (4S)-2-(6-hydroxybenzothiazol-2-yl)-1,3-thiazoline-4-carboxylic acid; 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4S)-; 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4S)-
Click to Show/Hide
|
||||
| Activity |
EC50 = 277000 nM
|
[3] | |||
| Compound Name |
6-Hydroxythieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037457; BDBM50385231
Click to Show/Hide
|
||||
| Activity |
EC50 = 340000 nM
|
[6] | |||
| Compound Name |
3-(4-Chlorophenyl)-5,6-dihydroxy-1H-indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089224; SCHEMBL14702793; BDBM50420394
Click to Show/Hide
|
||||
| Activity |
EC50 = 387000 nM
|
[7] | |||
| Compound Name |
5,6-Dihydroxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089195; SCHEMBL14702998; BDBM50420380; ZINC84741190
Click to Show/Hide
|
||||
| Activity |
EC50 > 500000 nM
|
[7] | |||
| Compound Name |
3-Bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2037459; BDBM50385233
Click to Show/Hide
|
||||
| Activity |
EC50 = 504000 nM
|
[6] | |||
| Compound Name |
5,6-Dihydroxy-1-benzothiophene-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089227; SCHEMBL10645077; BDBM50420386; ZINC59524448; AKOS033945485; DB-118227; 5,6-Dihydroxybenzo[b]thiophene-2-carboxylic acid; Z2568758042
Click to Show/Hide
|
||||
| Activity |
EC50 = 520000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of nitrophenols as GPR35 agonists. Medchemcomm. 2012;3:1270-4. | ||||
| REF 2 | Discovery of 2H-Chromen-2-one Derivatives as G Protein-Coupled Receptor-35 Agonists. J Med Chem. 2017 Jan 12;60(1):362-372. | ||||
| REF 3 | 6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35. J Med Chem. 2013 Sep 12;56(17):7084-99. | ||||
| REF 4 | Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists. J Med Chem. 2011 Oct 27;54(20):7385-96. | ||||
| REF 5 | Discovery of Natural Phenols as G Protein-Coupled Receptor-35 (GPR35) Agonists. ACS Med Chem Lett. 2012 Jan 17;3(2):165-9. | ||||
| REF 6 | Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists. Bioorg Med Chem Lett. 2012 Jun 15;22(12):4148-52. | ||||
| REF 7 | Synthesis and Agonistic Activity at the GPR35 of 5,6-Dihydroxyindole-2-carboxylic Acid Analogues. ACS Med Chem Lett. 2012 Jun 6;3(7):550-4. | ||||
| REF 8 | SAR Studies of N-[2-(1 H-Tetrazol-5-yl)phenyl]benzamide Derivatives as Potent G Protein-Coupled Receptor-35 Agonists. ACS Med Chem Lett. 2018 Apr 9;9(5):422-427. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.