Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83193 | Target Info | |||
| Target Name | Transient receptor potential cation channel V1 (TRPV1) | ||||
| Synonyms |
Vanilloid receptor 1; VR1; TrpV1; Transient receptor potential cation channel subfamily V member 1; Osm-9-like TRP channel 1; OTRPC1; Capsaicin receptor
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| Target Type | Successful Target | ||||
| Gene Name | TRPV1 | ||||
| Biochemical Class | Transient receptor potential catioin channel | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 99 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Allyl isothiocyanate
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Approved | Compound Info | ||
| Synonyms |
ALLYL ISOTHIOCYANATE; 57-06-7; 3-isothiocyanatoprop-1-ene; MUSTARD OIL; Redskin; Oil Of mustard; Allylsenevol; Allylsenfoel; Allyl mustard oil; Oleum sinapis; Allylsevenolum; Senfoel; Volatile mustard oil; Allyl isosulfocyanate; Synthetic mustard oil; AITC; 2-Propenyl isothiocyanate; Carbospol; 1-Propene, 3-isothiocyanato-; Allyspol; Volatile oil of mustard; ALLYLISOTHIOCYANATE; Senf oel; Oleum sinapis volatile; Isothiocyanate d'allyle; 3-Isothiocyanato-1-propene; Allyl sevenolum; Oils, mustard; Mustard seed oil; Isothiocyanic acid all
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| Activity |
EC50 = 160000 nM
|
[1] | |||
| Compound Name |
PEITC
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Phase 2 | Compound Info | ||
| Synonyms |
Phenethyl-isothiocyanate
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| Activity |
EC50 = 180000 nM
|
[1] | |||
| Compound Name |
VOACANGINE
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Investigative | Compound Info | ||
| Synonyms |
Voacangine; CHEMBL182120; Carbomethoxyibogaine; (-)-Voacangine; 510-22-5; methyl ethyl(methoxy)[ ]carboxylate; AC1L2JJV; 12-Methoxyibogamine-18-carboxylic acid methyl ester; MMAYTCMMKJYIAM-RUGRQLENSA-N; BDBM50329104; ZINC100392804; Methyl (1S)-3,13-diaza-17-ethyl-7-methoxypentacyclo[13.3.1.0< 2,10> 4,9> 13,18> ]nonadeca-2(10),4,6,8-tetraenecarboxylate
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
5-Biphenyl-4-ylmethyl-1-isobutyl-1H-tetrazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL255903
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
geraniol
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Investigative | Compound Info | ||
| Synonyms |
GERANIOL; 106-24-1; Lemonol; Geranyl alcohol; trans-Geraniol; (E)-Geraniol; (2E)-3,7-dimethylocta-2,6-dien-1-ol; (E)-Nerol; trans-3,7-Dimethyl-2,6-octadien-1-ol; (E)-3,7-Dimethylocta-2,6-dien-1-ol; Geraniol Extra; Geraniol alcohol; 3,7-Dimethyl-2,6-octadien-1-ol; (E)-3,7-Dimethyl-2,6-octadien-1-ol; beta-Geraniol; 3,7-Dimethyl-trans-2,6-octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-; Guaniol; t-geraniol; 2E-geraniol; Geraniol (natural); 2-trans-3,7-Dimethyl-2,6-octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-; CHEBI:17447
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
LY-2183240
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Investigative | Compound Info | ||
| Synonyms |
LY2183240; 874902-19-9; LY 2183240; UNII-2WBU91OKM7; 2WBU91OKM7; CHEMBL509860; LY-2183240; 5-Biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide; LY2183240/LY-2183240; 1H-Tetrazole-1-carboxamide, 5-([1,1'-biphenyl]-4-ylmethyl)-N,N-dimethyl-; 1H-Tetrazole-1-carboxamide, 5-((1,1'-biphenyl)-4-ylmethyl)-N,N-dimethyl-; SCHEMBL2184828; CTK8E8366; CHEBI:92670; KS-00001CUG; BDBM26736; AOB2582; MolPort-023-219-146; HMS3269E15; BCP22610; ZINC13813297; MFCD08703123; 3796AH; AKOS024457108; CS-0913; BCP9000870; LP01268; NCGC00159571-01
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
CORONARIDINE
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Investigative | Compound Info | ||
| Synonyms |
CORONARIDINE; Coronardine; CHEMBL364613; CHEBI:3887; (-)-Coronaridine; NSC127490; Ibogamine-18-carboxylic acid, methyl ester; Methyl ibogamine-18-carboxylate; 467-77-6; AC1L2JXS; NVVDQMVGALBDGE-KSWFMABOSA-N; BDBM50329102
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| Activity |
IC50 = 170000 nM
|
[6] | |||
| Compound Name |
5-Hydroxy-1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]decan-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950584; BDBM50364451
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
Chembl4241477
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Investigative | Compound Info | ||
| Synonyms |
BDBM50463443
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
5-Hydroxy-1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-6-phenylhexan-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950590; BDBM50364445
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
1-(1,3-Benzodioxol-5-yl)-5-hydroxy-6-phenylhexan-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950589; BDBM50364446
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
1,6-Diphenyl-5-hydroxy-3-hexanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL487732; SCHEMBL3103285; 5-Hydroxy-1,6-diphenylhexan-3-one; BDBM50364444
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
Schembl20668200
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950585; BDBM50364450
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
1-(2-(5-Hydroxy-1H-indol-2-yl)ethyl)-3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1098225; BDBM50317574
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| Activity |
EC50 = 52200 nM
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[9] | |||
| Compound Name |
N-[[2-(2-Methylpropyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257777; BDBM50377665
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| Activity |
EC50 = 53500 nM
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[3] | |||
| Compound Name |
4-Methoxyphenyl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1096336; BDBM50317571
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| Activity |
EC50 = 53800 nM
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[9] | |||
| Compound Name |
4-[2-[(Z,12R)-12-Hydroxyoctadec-9-enyl]tetrazol-5-yl]-2-methoxyphenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3398240; BDBM50103442
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| Activity |
IC50 = 57500 nM
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[10] | |||
| Compound Name |
5-[[4-(3-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376864; BDBM50432910
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| Activity |
IC50 = 67400 nM
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[5] | |||
| Compound Name |
2-Hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359443; SCHEMBL15145349; BDBM50040100
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| Activity |
IC50 = 70000 nM
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[11] | |||
| Compound Name |
5-Benzoyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359448; BDBM50040105
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| Activity |
IC50 = 70000 nM
|
[11] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] N-(4-tert-butylphenyl)carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355303; BDBM50037034
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| Activity |
IC50 = 74600 nM
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[4] | |||
| Compound Name |
1-(4-Tert-butylphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355288; BDBM50036945
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| Activity |
IC50 = 76800 nM
|
[4] | |||
| Compound Name |
N,N-Dimethyl-5-[[4-(3-methylphenyl)phenyl]methyl]tetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376854; BDBM50432898
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| Activity |
IC50 = 78900 nM
|
[5] | |||
| Compound Name |
5-[[4-(3-Carbamoylphenyl)phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376852; BDBM50432900
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| Activity |
IC50 = 91800 nM
|
[5] | |||
| Compound Name |
(4-Tert-butylphenyl) N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355287; BDBM50036944
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| Activity |
IC50 = 92300 nM
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[4] | |||
| Compound Name |
5-[[4-[3-(Hydroxymethyl)phenyl]phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376847; BDBM50432905
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
Sec-Butyl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
2-Butyl isothiocyanate; 2-Isothiocyanatobutane; Butane, 2-isothiocyanato-; Isothiocyanic Acid sec-Butyl Ester; Isothiocyanic acid, sec-butyl ester; CHEMBL3593576; butan-2-isothiocyanate; EINECS 224-609-8; 2-Butylisothiocyanate; s-butyl isothiocyanate; 2-Isothiocyanatobutane #; Butane,2-isothiocyanato-; ACMC-1CT2B; SCHEMBL331115; CTK3J7947; KS-00001PQR; DTXSID80863392; 2-Isothiocyanatobutane, AldrichCPR; Isothiocyanic acid sec-butyl ester; 3729AE; ANW-30079; BBL027965; BDBM50096278; MFCD00041108; SBB021425; STK397518; AKOS000212507; AKOS016042567; MCULE-7411656228; NE29240; VZ24129; VS-08633; DB-023065; FT-0635288; I0481; ST45063417; EN300-62130; J-802072; Q27251375
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| Activity |
EC50 = 100000 nM
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[1] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 3-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355290; BDBM50036949
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
5-[[4-(2-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376849; BDBM50432903
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
Geranyl acetate
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Investigative | Compound Info | ||
| Synonyms |
Geraniol acetate; Bay pine (oyster) oil; Acetic acid, geraniol ester; 3,7-Dimethyl-2,6-octadienyl acetate; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; NCI-C54728; Acetic acid, geranyl ester; UNII-3W81YG7P9R; beta-Geranyl Acetate; NSC 2584; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; MFCD00015037; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 3W81YG7P9R; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; Geranyl ethanoate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; 3,7-Dimethyl-2E,6-octadienyl acetate; trans-Geraniol acetate; Geranyl acetate, cis-; DSSTox_CID_654; DSSTox_RID_75714; DSSTox_GSID_20654; Meraneine; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; NERYLACETATE; trans-geranyl acetate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; geranylacetat; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadien-1-ol acetate; EINECS 269-749-0; trans-3,7-Dimethyl-2,6-octadienyl acetate; Geranyl Acetate 60; Geranyl acetate, FCC; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; Geranyl Acetate 98; (2E)-geranyl acetate; Geranyl Acetate, Extra; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; 3, 6-octadienyl acetate; Acetic acid geraniol ester; Monoterpene Acetate mixture; EC 203-341-5; Geranyl acetate, >=97%; GERANYL ACETATE EXTRA; SCHEMBL56913; SCHEMBL56914; 4-02-00-00204 (Beilstein Handbook Reference); MLS002152904; Geranyl acetate, natural, FCC; CHEMBL1369384; DTXSID0020654; NSC2584; HMS2268G10; HY-N7070; NSC-2584; trans-3,6-octadien-1-ol, acetate; ZINC1531610; Geranyl acetate, analytical standard; Tox21_202089; Tox21_300355; WLN: 1Y & U3YU2OV1-T; BDBM50037025; LMFA07010189; s5091; 2, 3,7-dimethyl-, acetate,(E)-; 2, 3,7-dimethyl-, acetate, trans-; 3,7-Dimethyl-2,6-octadienyl=acetate; AKOS015837938; 2, 3,7-dimethyl-, acetate, (E)-; CCG-266559; CS-W015698; NCGC00091394-01; NCGC00091394-02; NCGC00091394-03; NCGC00091394-04; NCGC00254482-01; NCGC00259638-01; SMR000127400; 3,7-dimethyl-2,6-octadien-1-yl acetate; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; G0028; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; C09861; Geranyl acetate 100 microg/mL in Acetonitrile; Q426437; J-007463; W-108778; 2,6-Octadien-1-ol,3,7-dimethyl-, 1-acetate, (2E)-
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Methyl 3-[4-[[2-(dimethylcarbamoyl)tetrazol-5-yl]methyl]phenyl]benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376846; BDBM50432906
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
2-Methoxy-4-[2-[(Z)-octadec-9-enyl]tetrazol-5-yl]phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3398239; BDBM50103439
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| Activity |
IC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Chembl4244422
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Investigative | Compound Info | ||
| Synonyms |
BDBM50463446
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 4-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355275; BDBM50037026
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Nerol
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Investigative | Compound Info | ||
| Synonyms |
cis-Geraniol; Neryl alcohol; (Z)-3,7-dimethylocta-2,6-dien-1-ol; (Z)-Geraniol; (2Z)-3,7-dimethylocta-2,6-dien-1-ol; cis-3,7-Dimethyl-2,6-octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-; Nerol (natural); (Z)-3,7-dimethyl-2,6-octadien-1-ol; Z-Geraniol; MFCD00063204; 2-cis-3,7-Dimethyl-2,6-octadien-1-ol; UNII-38G5P53250; 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol; 3,7-Dimethyl-2,6-octadien-1-ol, cis-; 3,7-dimethyl-2Z,6-octadien-1-ol; Nerol, 97%; 38G5P53250; DSSTox_CID_6728; 3,7-DIMETHYL-2,6-OCTADIEN-1-OL(CIS); DSSTox_RID_78203; DSSTox_GSID_26728; Geraniol (natural); NSC-46105; 3,7-dimethyl-cis-2,6-octadien-1-ol; Nerol 900; Vernol; 3,7-dimethylocta-2,6-dien-1-ol; FEMA No. 2770; 3,7-Dimethyl-2,6-octadien-1-ol; EINECS 203-378-7; (Z)-Nerol; cis-2,6-dimethyl-2,6-octadien-8-ol; NEROL PUR; AI3-28202; 3,7-Dimethyl-2,6-octadien-1-ol, (Z)-; Nerol, analytical standard; EC 203-378-7; NEROL 90; SCHEMBL19825; CHEMBL452683; DTXSID3026728; NEROL BRI (98+%); HSDB 8262; (E)3,7-Dimethyl-Octadien-1-ol; HMS3886M07; HY-N7063; Tox21_202029; Tox21_300542; BDBM50036946; s4970; ZINC12405252; AKOS016008578; Nerol 1000 microg/mL in Isopropanol; 3,7-dimethyl-octa-2cis,6-dien-1-ol; CCG-266252; CS-W018031; LMPR0102010010; (E)3,7-dimethyl-2,6-Octadien-1-ol; (Z)3,7-dimethyl-2,6-Octadien-1-ol; (2E)3,7-dimethyl-2,6-octadien-1-ol; (2Z)3,7-dimethyl-2,6-octadien-1-ol; (cis)3,7-dimethyl-2,6-Octadien-1-ol; NCGC00164117-01; NCGC00164117-02; NCGC00164117-03; NCGC00254346-01; NCGC00259578-01; AS-61707; (2Z)-3,7-dimethyl-1-octa-2,6-dienol; 3,7-Dimethyl-trans-2, 6-octadien-1-ol; (2Z)-3,7-dimethyl-octa-2,6-dien-1-ol; N0077; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol #; cis-3,7-Dimethyl-2,6-octadien-1-ol, 97%; C09871; 3,7-Dimethyl-Octane-1-ol tetrahydro derivative; A801400; Q415359; W-108769; cis-3,7-Dimethyl-2,6-octadien-1-ol, >=97%, FCC, FG
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
5-[[4-[4-(Hydroxymethyl)phenyl]phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376862; BDBM50432912
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
5-[[4-(3-Acetylphenyl)phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376845; BDBM50432907
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 2-(4-methoxyphenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355294; BDBM50036953
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 2-(4-methoxyphenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355281; BDBM50036938
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(4-Tert-butylphenyl) N-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355302; BDBM50037033
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-(2-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376863; BDBM50432911
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3,7-Dimethyloct-6-enyl 4-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355304; SCHEMBL14078793; BDBM50037055
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Methyl 2-[5-[(4-phenylphenyl)methyl]tetrazol-1-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258163; BDBM50377657
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| Activity |
EC50 ~ 100000 nM
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[3] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 4-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355289; BDBM50036948
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-(4-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376851; BDBM50432901
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
N,N-Dimethyl-2-[5-[(4-phenylphenyl)methyl]tetrazol-2-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL254788; BDBM50377670
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-[[1-(2-Oxopropyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL403221; BDBM50377671
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3,7-Dimethyloct-6-enyl 3-phenylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355307; BDBM50037058
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-(4-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376865; BDBM50432909
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
N-[(2Z)-3,7-Dimethylocta-2,6-dienyl]-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355299; BDBM50037022
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 2-(3-iodophenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355295; BDBM50036954
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-[2-(4-Hydroxyphenyl)ethyl]octanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL358031; N-octanoyl tyramine; SCHEMBL14773849; BDBM50136847; ZINC43989854; AKOS005811609; Octanoic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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| Activity |
EC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
3,7-Dimethyloct-6-enyl 2-(4-chlorophenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355306; BDBM50037057
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4238978
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Investigative | Compound Info | ||
| Synonyms |
BDBM50463444
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N,N-Dimethyl-5-[[4-(2-methylphenyl)phenyl]methyl]tetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376867; BDBM50432925
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 2-(4-methylphenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355292; BDBM50036951
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 2-(4-chlorophenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355280; BDBM50036937
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 2-(4-chlorophenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355293; BDBM50036952
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-[3-(Hydroxymethyl)phenyl]phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376861; BDBM50432913
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
5-[[4-[4-(Hydroxymethyl)phenyl]phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376848; BDBM50432904
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 3-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355276; SCHEMBL16690007; SCHEMBL16690010; BDBM50037027
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
[(Z,7R)-18-[5-(4-Hydroxy-3-methoxyphenyl)tetrazol-2-yl]octadec-9-en-7-yl] 2-phenylacetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3398241; BDBM50103441
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| Activity |
IC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Neryl acetate
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Investigative | Compound Info | ||
| Synonyms |
Nerol acetate; Neryl ethanoate; (Z)-3,7-Dimethylocta-2,6-dien-1-yl acetate; cis-Geranyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; Nerol acetate (6CI); UNII-OF82IJU18H; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-; MFCD00063205; NSC-72031; OF82IJU18H; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; (2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate; 3,7-Dimethyl-2Z,6-octadienyl acetate; Geranyl acetate, cis-; Meraneine; Geranyl ethanoate; Geranyl acetate A; NERYLACETATE; trans-geranyl acetate; trans-Geraniol acetate; Neryl acetate (natural); FEMA No. 2773; 3,7-Dimethyl-2,6-octadien-1-ol acetate; EINECS 205-459-2; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; trans-3,7-Dimethyl-2,6-octadienyl acetate; BRN 1722814; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; 3,7-Dimethyloctyl acetate, tetradehydro derivative; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; AI3-35817; NERYL ACETATE BRI; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; DSSTox_CID_27068; DSSTox_RID_82084; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; DSSTox_GSID_47068; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; SCHEMBL236190; Neryl acetate, natural, 90%; CHEMBL2268549; DTXSID2047068; FEMA 2509; Linalyl, geranyl acetates, mixture; Neryl acetate, analytical standard; NSC72031; ZINC4528568; Tox21_301974; 6855AA; BDBM50036947; LMFA07010194; s9373; Neryl acetate, >=98%, FCC, FG; AKOS016009834; 2, 3,7-dimethyl-, acetate, (Z)-; CCG-266557; CS-W015699; HY-W014983; NCGC00256089-01; AS-68365; (Z)-3,7-Dimethyl-2,6-octadienyl acetate; (2E)-3,7-Dimethyl-2,6-octadienyl acetate; (2Z)-3,7-Dimethyl-2,6-octadienyl acetate; cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene; N0463; 3,7-Dimethyl-acetate(E)-2,6-Octadien-1-ol; (2Z)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-acetate(2E)-2,6-Octadien-1-ol; 3,7-Dimethyl-acetate(2Z)-2,6-Octadien-1-ol; 3,7-Dimethyl-acetatetrans-2,6-Octadien-1-ol; cis-3,7-dimethyl-2,6-octadien-1-yl ethanoate; 3,7-Dimethyl-1-acetate(2E)-2,6-Octadien-1-ol; 3,7-Dimethyl-1-acetate(2Z)-2,6-Octadien-1-ol; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate, 98%; Q1368877
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Citronellol
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Investigative | Compound Info | ||
| Synonyms |
3,7-Dimethyloct-6-en-1-ol; beta-Citronellol; 3,7-DIMETHYL-6-OCTEN-1-OL; DL-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-; Cephrol; Elenol; 2,3-Dihydrogeraniol; Rodinol; 2,6-Dimethyl-2-octen-8-ol; (+/-)-beta-Citronellol; .beta.-Citronellol; l-Citronellol; NSC 8779; MFCD00002935; (+/-)-3,7-dimethyloct-6-en-1-ol; 3,7-dimethyl-oct-6-en-1-ol; NSC8779; Citronellol, 95%; D-Citronellol;(R)-(+)-beta-Citronellol; ST069325; (+/-)-Citronellol;(+/-)-beta-Citronellol; DSSTox_CID_6726; DSSTox_RID_78201; DSSTox_GSID_26726; FEMA No. 2309; Citronellol, dl-; (+/-)-beta-Citronellol analytical standard; Citronellol (natural); (+-)-beta-citronellol; (+-)-CITRONELLOL; (R)-(+)-.beta.-Citronellol; CCRIS 7452; Levo-citronellol; Citronellol Natural; 6-Octen-1-ol, 3,7-dimethyl-, (S)-; EINECS 203-375-0; EINECS 247-737-6; citronellol derivatives; Oils,geranium,sapond.; CITRONELLOL BRI; BRN 1721507; AI3-25080; beta-Citronellol, 95%; (+-)-beta;-Citronellol; ACMC-2098iz; EC 203-375-0; Citronellol (ex. Java citronella oil) (natural); SCHEMBL21320; (S)-(-)-; A-Citronellol; 4-01-00-02188 (Beilstein Handbook Reference); 6-Octen-1-ol,7-dimethyl-; KSC492E7L; MLS002415719; 3,7-dimethyl-oct-6-en1-ol; CHEMBL395827; DTXSID3026726; CTK3J2275; HSDB 6805; KS-00000URS; WLN: Q2Y1&3UY1&1; HMS2267B17; Citronellol, >=95%, FCC, FG; NSC-8779; Tox21_202119; Tox21_300003; ANW-15321; BBL009826; BDBM50037035; s5584; SBB012357; STK085542; AKOS005393175; CCG-266265; CS-W010917; HY-W010201; MCULE-4204888723; NCGC00091348-01; NCGC00091348-02; NCGC00091348-03; NCGC00091348-04; NCGC00254145-01; NCGC00259668-01; AK-68278; AS-14688; BP-21491; SMR000112138; SY066737; DB-060123; DB-074976; (+/-)-beta-Citronellol, analytical standard; FT-0604381; FT-0622896; FT-0623965; FT-0623966; FT-0693159; FT-0772868; W-108771; W-109198; W-110227; Q27122080
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
1-[5-[(4-Phenylphenyl)methyl]tetrazol-2-yl]propan-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL403167; BDBM50377661
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| Activity |
EC50 ~ 100000 nM
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[3] | |||
| Compound Name |
(R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173240; SCHEMBL472366; BDBM50321851; US8796328, D
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
Neryl 3-phenylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355297; BDBM50036956; Q65225061
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Methyl 2-[5-[(4-phenylphenyl)methyl]tetrazol-2-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258164; BDBM50377669
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| Activity |
EC50 ~ 100000 nM
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[3] | |||
| Compound Name |
N-[[2-(Cyanomethyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL402283; BDBM50377664
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| Activity |
EC50 ~ 100000 nM
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[3] | |||
| Compound Name |
2-[5-[(4-Phenylphenyl)methyl]tetrazol-1-yl]acetonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL404652; BDBM50377659
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N,N-Dimethyl-2-[5-[(4-phenylphenyl)methyl]tetrazol-1-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL404542; BDBM50377675
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Benzenepropanoic acid, 3,7-dimethylocta-2,6-dienyl ester
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Investigative | Compound Info | ||
| Synonyms |
geranyl 3-phenylpropanoate; CHEMBL3355282; (2E)-3,7-Dimethyl-2,6-octadienyl 3-phenylpropanoate; BDBM50036939; Q65224912; (2E)-3,7-Dimethyl-2,6-octadienyl 3-phenylpropanoate #; Benzenepropanoic acid 3,7-dimethyl-2,6-octadienyl ester; 3-Phenylpropanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-[(2E)-3,7-Dimethylocta-2,6-dienyl]-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355284; BDBM50036941
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N,N-Dimethyl-5-[[4-(4-methylphenyl)phenyl]methyl]tetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376869; BDBM50432923
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
N-[[2-[2-(Dimethylamino)-2-oxoethyl]tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258162; BDBM50377668
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Isopropyl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
2-Isothiocyanatopropane; isopropylisothiocyanate; Isothiocyanic Acid Isopropyl Ester; Propane, 2-isothiocyanato-; Isopropyl mustard oil; UNII-46561PKP9T; MFCD00037830; 46561PKP9T; Isothiocyanic acid, isopropyl ester; propan-2-isothiocyanate; EINECS 218-851-3; iso-propylisothiocyanate; PubChem16501; ACMC-1CMAC; 2-Isothiocyanatopropane #; ASISCHEM A85471; KSC497E3B; SCHEMBL213474; Isopropyl isothiocyanate, 97%; CHEMBL2208211; CTK3J7230; FEMA 4425; KS-00000EQF; KS-00001PQM; DTXSID60177045; PROPANE, 2-ISOTHIOCYANATO; OTAVA-BB 1055627; LABOTEST-BB LTBB003773; ZINC1841344; ANW-24911; BBL027932; BDBM50096277; SBB056455; AKOS000101197; AS04387; MCULE-7689456429; AS-17372; BP-12933; SC-27133; AB0019471; FT-0627465; I0520; ST51047329; M-3652; J-670002; J-801001; J-802232; Q27258900; F0001-0793
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| Activity |
EC50 = 100000 nM
|
[1] | |||
| Compound Name |
N,N-Dimethyl-5-[[4-(3-methylphenyl)phenyl]methyl]tetrazole-1-carboxamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376868; BDBM50432924
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
N-[[1-(Cyanomethyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257569; BDBM50377674
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N,N-Dimethyl-5-[[4-(2-methylphenyl)phenyl]methyl]tetrazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376853; BDBM50432899
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
1-(1,3-Benzodioxol-5-yl)-5-hydroxydecan-3-one
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950583; BDBM50364452
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
1-[5-[(4-Phenylphenyl)methyl]tetrazol-1-yl]propan-2-one
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL404541; BDBM50377662
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Methyl 3-[4-[[1-(dimethylcarbamoyl)tetrazol-5-yl]methyl]phenyl]benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376860; BDBM50432914
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 3,5-bis(trifluoromethyl)benzoate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355278; BDBM50037029
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-(3-Hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-2-carboxamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376850; BDBM50432902
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
5-[[4-(3-Carbamoylphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376866; BDBM50432908
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
2-[5-[(4-Phenylphenyl)methyl]tetrazol-2-yl]acetonitrile
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257157; BDBM50377658
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3,7-Dimethyloct-6-enyl 2-(4-methylphenyl)acetate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355305; BDBM50037056
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Citronellyl acetate
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Investigative | Compound Info | ||
| Synonyms |
Citronellol acetate; 3,7-Dimethyloct-6-en-1-yl acetate; 3,7-Dimethyl-6-octen-1-yl acetate; 1-Acetoxy-3,7-dimethyloct-6-ene; Acetic acid, citronellyl ester; 3,7-dimethyloct-6-enyl acetate; Natural rhodinol, acetylated; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; 3,7-Dimethyl-6-octen-1-ol acetate; 2-Octen-8-ol, 2,6-dimethyl-, acetate; NSC 4893; Acetic acid, 3,7-dimethyl-6-octen-1-yl ester; 3,7-Dimethyl-6-octen-1-yl ethanoate; beta-citronellol acetate; beta-Citronellyl acetate; MFCD00015039; .beta.-Citronellyl acetate; 6-Octen-l-ol, 3,7-dimethyl-, acetate; 3,7-Dimethyl-6-octenyl acetate; Citronellyl ethanoate; b-citronellyl acetate; Ctronellyl acetate (natural); FEMA No. 2311; FEMA No. 2981; 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-; EINECS 205-775-0; EINECS 266-837-0; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-; BRN 1723886; Cephreine; Cephrol acetate; AI3-02039; Citronellylacetate; Citronellyl Extra; CitronellyI acetate; (1)-3,7-Dimethyloct-6-enyl acetate; DL-Citronellol acetate; Acetic acid citronellyl; ACMC-1B6AI; EC 205-775-0; (+/-)-Citronellyl acetate; .beta.-Citronellol, acetate; 1-02-00-00065 (Beilstein Handbook Reference); KSC204E3B; CITRONELLYL ACETATE BRI; SCHEMBL157075; CHEMBL1453648; DTXSID5051739; CTK1A4230; FEMA 2311; HY-N7144A; NSC4893; WLN: 1Y1&U3Y1&WOV1; 3,7-dimethyl-6-octen-1yl acetate; KS-00000ZD9; NSC-4893; 7556AA; ANW-21300; BDBM50037054; s5827; 2-Octen-8-ol,6-dimethyl-, acetate; 6-Octen-1-ol,7-dimethyl-, acetate; AKOS015899521; LMPR0102010015; MCULE-2538735041; Citronellyl acetate, analytical standard; Citronellyl acetate, >=95%, FCC, FG; NCGC00095623-01; AS-63841; acetic acid 3,7-dimethyl-6-octenyl ester; Acetic acid,7-dimethyl-6-octen-1-yl ester; DB-043064; CS-0099257; FT-0623967; C12298; Q-200868; Q27138814; 3,7-Dimethyl-6-octen-1-yl acetate;Citronellyl acetate; Citronellyl acetate, mixture of isomers, natural, >=95%, FG
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 2-(4-methylphenyl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355279; BDBM50037030
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Methyl 2-[5-[[(4-phenylbenzoyl)amino]methyl]tetrazol-2-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257961; BDBM50377673
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-[[2-(2-Oxopropyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257778; BDBM50377667
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| Activity |
EC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] 4-cyanobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355277; BDBM50037028
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 4-cyanobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355291; BDBM50036950
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-[[4-(3-Acetylphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2376859; BDBM50432915
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2Z)-3,7-Dimethylocta-2,6-dienyl] 2-naphthalen-2-ylacetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355296; BDBM50036955
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-
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Investigative | Compound Info | ||
| Synonyms |
UNII-0T7H9YA5WZ; 0T7H9YA5WZ; CHEMBL3355308; N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-; N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide; (2E)-N-3,7-dimethyl-2,6-octadienyl cyclopropylcarboxamide; N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide; FEMA No. 4267, E-; SCHEMBL787326; SCHEMBL787327; N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid; DTXSID70225440; Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadienyl)-; BDBM50037024; Q27237227; (e)-N-(3,7-dimethylocta-2,6-dienyl)cyclopropanecarboxamide; UNII-OE05UC6I23 component UKNMSFRSBQONET-FMIVXFBMSA-N; N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboxamide
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| Activity |
EC50 = 115000 nM
|
[4] | |||
| Compound Name |
Voacangine hydroxyindolenine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3325766; BDBM50044109
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| Activity |
IC50 = 141000 nM
|
[6] | |||
| Compound Name |
4-Hydroxybenzyl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
4-(isothiocyanatomethyl)phenol; para-Hydroxybenzyl isothiocyanate; CHEMBL3593946; UNII-318HJ2034L; Phenol,4-(isothiocyanatomethyl)-; 318HJ2034L; 4-hydroxybenzylisothiocyanate; p-hydroxybenzyl isothiocyanate; SCHEMBL41756; 4-(Isothiocyanatomethyl)-Phenol; CTK4E5345; DTXSID20174974; Phenol, 4-(isothiocyanatomethyl)-; ZINC6092887; 4-(Isothiocyanatomethyl)phenol, 9CI; BDBM50104730; AKOS006278917; FT-0669414; J-013690
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| Activity |
EC50 = 170000 nM
|
[1] | |||
| Compound Name |
[(1S,15R,17S,18S)-17-Ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl]methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3325768; BDBM50044108
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||||
| Activity |
IC50 = 200000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
19(S)-Heyneanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL463317; BDBM50329105
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| Activity |
IC50 > 200000 nM
|
[6] | |||
| Compound Name |
Methyl (1S,14R,16S,17S)-16-ethyl-7-methoxy-3-(methoxymethyl)-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4(9),5,7-tetraene-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3325769; BDBM50044107
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| Activity |
IC50 > 200000 nM
|
[6] | |||
| Compound Name |
[2-[2-(5-Hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359444; BDBM50040101
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| Activity |
IC50 = 203000 nM
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[11] | |||
| Compound Name |
Benzyl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
Benzylisothiocyanate; (Isothiocyanatomethyl)benzene; Benzyl mustard oil; Benzylsenfoel; Tromacaps; Tromalyt; Urogran; Benzene, (isothiocyanatomethyl)-; Benzyl-isothiocyanate; Isothiocyanic acid, benzyl ester; isothiocyanatomethylbenzene; Isothiocyanic Acid Benzyl Ester; Benzylsenfoel [German]; AB 2 (VAN); alpha-isothiocyanatotoluene; Isothiocyanotaomethylbenzene; isothiocyanatomethyl-benzene; UNII-871J6YOR8Q; MFCD00004819; NSC 118976; Benzyl isothiocyanate, 98%; (isothiocyanatomethyl)-benzene; CHEMBL55285; 871J6YOR8Q; Toluene, .alpha.-isothiocyanato-; NSC118976; Benzylsenfoel (german); phenylmethanisothiocyanate; PMITC cpd; Toluene, alpha-isothiocyanato-; CCRIS 3145; SR-05000002381; EINECS 210-753-9; phenylmethyl isothiocyanate; BRN 0386135; Tromocaps; AI3-02736; Benzyl isothio cyanate; PubChem14549; Spectrum_001820; SpecPlus_000684; Tromalyt active substance; DSSTox_CID_155; Spectrum2_000852; Spectrum3_000793; Spectrum4_001059; Spectrum5_001837; WLN: SCN1R; ACMC-209n1k; NCIMech_000859; alpha-Isothiocyanato-Toluene; isothiocyanato-methyl-benzene; DSSTox_RID_75407; DSSTox_GSID_20155; SCHEMBL44145; BSPBio_002526; KBioGR_001358; KBioSS_002323; 4-12-00-02276 (Beilstein Handbook Reference); KSC250O3D; Benzene, isothiocyanatomethyl-; DivK1c_006780; SPECTRUM1503006; SPBio_000863; (Isothiocyanatomethyl)benzene #; 1-(isothiocyanatomethyl)benzene; BITC, 17; Toluene, alpha -isothiocyanato-; DTXSID0020155; CTK1F0731; FEMA 4428; KBio1_001724; KBio2_002321; KBio2_004889; KBio2_007457; KBio3_001746; KS-00001PQO; TIMTEC-BB SBB002731; AKOS JY2090023; Benzyl isothiocyanate, 98%, FG; OTAVA-BB 1055640; HMS1921P18; Pharmakon1600-01503006; (Isothiocyanatomethyl)benzene, 9CI; KS-00000V2U; ZINC1529592; AKOS BBS-00004442; Tox21_201191; ANW-34134; BBL013129; BDBM50240520; CCG-35868; NSC758206; s4783; SBB002731; STK399787; AKOS000212138; AS04379; LS11773; MCULE-5989558191; NSC-118976; NSC-758206; SDCCGMLS-0066697.P001; QTL1_000013; NCGC00094982-01; NCGC00094982-02; NCGC00094982-03; NCGC00094982-04; NCGC00258743-01; Benzyl isothiocyanate, analytical standard; BP-12924; HY-77813; NCI60_000455; PS-10308; SC-13625; SBI-0052749.P002; DB-022613; CS-0006958; FT-0622167; I0224; ST50214559; C03098; AB00053249_03; J-650076; SR-05000002381-1; SR-05000002381-2; Q18341725; F0001-1663
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| Activity |
EC50 = 223000 nM
|
[1] | |||
| Compound Name |
(2R)-N-[(2S)-1-[[(3Z,6S,9S,12R,13R)-3-Ethylidene-6,13-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-(propanoylamino)propanoyl]amino]pentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1784748; BDBM50345471
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| Activity |
IC50 = 227000 nM
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[14] | |||
| Compound Name |
Nobilamide B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1784750; BDBM50345472
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| Activity |
IC50 = 275000 nM
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[14] | |||
| Compound Name |
Chembl4226595
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL11734210; BDBM50460762; N-[2-(3,4-dihydroxyphenyl)ethyl]-2,2-dimethylpropanamide; N-[beta-(3,4-Dihydroxyphenyl)-ethyl]-2,2-dimethylpropionamide
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| Activity |
EC50 > 500000 nM
|
[12] | |||
| Compound Name |
(2R)-2-[[(2R)-2-Acetamido-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(3Z,6S,9S,12R,13R)-3-ethylidene-6,13-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1784747; BDBM50345473; A-3302-A
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| Activity |
IC50 = 1320000 nM
|
[14] | |||
| Compound Name |
Nobilamide A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1784749; BDBM50345474
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| Activity |
IC50 = 1665000 nM
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[14] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard. J Nat Prod. 2015 Aug 28;78(8):1937-41. | ||||
| REF 2 | Activation and inhibition of thermosensitive TRP channels by voacangine, an alkaloid present in Voacanga africana, an African tree. J Nat Prod. 2014 Feb 28;77(2):285-97. | ||||
| REF 3 | New tetrazole-based selective anandamide uptake inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2820-4. | ||||
| REF 4 | Effect of acyclic monoterpene alcohols and their derivatives on TRP channels. Bioorg Med Chem Lett. 2014 Dec 1;24(23):5507-11. | ||||
| REF 5 | Biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism: modulation at the N-portion and distal phenyl ring. Eur J Med Chem. 2013 May;63:118-32. | ||||
| REF 6 | Identification of Indole Alkaloid Structural Units Important for Stimulus-Selective TRPM8 Inhibition: SAR Study of Naturally Occurring Iboga Derivatives. J Nat Prod. 2014 Aug 22;77(8):1831-8. | ||||
| REF 7 | Synthesis and biological evaluation of [6]-gingerol analogues as transient receptor potential channel TRPV1 and TRPA1 modulators. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1674-7. | ||||
| REF 8 | Iodine-mediated cyclization of cannabigerol (CBG) expands the cannabinoid biological and chemical space. Bioorg Med Chem. 2018 Aug 15;26(15):4532-4536. | ||||
| REF 9 | (-)-Menthylamine derivatives as potent and selective antagonists of transient receptor potential melastatin type-8 (TRPM8) channels. Bioorg Med Chem Lett. 2010 May 1;20(9):2729-32. | ||||
| REF 10 | Discovery of non-electrophilic capsaicinoid-type TRPA1 ligands. Bioorg Med Chem Lett. 2015 Mar 1;25(5):1009-11. | ||||
| REF 11 | Inhibition of FAAH, TRPV1, and COX2 by NSAID-serotonin conjugates. Bioorg Med Chem Lett. 2014 Dec 15;24(24):5695-5698. | ||||
| REF 12 | Analyses of Synthetic N-Acyl Dopamine Derivatives Revealing Different Structural Requirements for Their Anti-inflammatory and Transient-Receptor-Potential-Channel-of-the-Vanilloid-Receptor-Subfamily-Subtype-1 (TRPV1)-Activating Properties. J Med Chem. 2018 Apr 12;61(7):3126-3137. | ||||
| REF 13 | Synthesis and biological evaluation of 5-substituted and 4,5-disubstituted-2-arylamino oxazole TRPV1 antagonists. Bioorg Med Chem. 2010 Jul 1;18(13):4821-9. | ||||
| REF 14 | Nobilamides A-H, long-acting transient receptor potential vanilloid-1 (TRPV1) antagonists from mollusk-associated bacteria. J Med Chem. 2011 Jun 9;54(11):3746-55. | ||||
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