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BDBM50261877 3-chloro-5-(2-fluoro-6-methyl-3-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)phenoxy)benzonitrile::CHEMBL513510

SMILES: Cc1ccc(Cc2n[nH]c(=O)n2C)c(F)c1Oc1cc(Cl)cc(c1)C#N

InChI Key: InChIKey=USSLQUIVSMCVBT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50261877
PNG
(3-chloro-5-(2-fluoro-6-methyl-3-((4-methyl-5-oxo-4...)
Show SMILES Cc1ccc(Cc2n[nH]c(=O)n2C)c(F)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C18H14ClFN4O2/c1-10-3-4-12(7-15-22-23-18(25)24(15)2)16(20)17(10)26-14-6-11(9-21)5-13(19)8-14/h3-6,8H,7H2,1-2H3,(H,23,25)
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MMDB

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Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 18: 4348-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.080
BindingDB Entry DOI: 10.7270/Q2ZK5GG4
More data for this
Ligand-Target Pair