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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A' and Ligand = 'BDBM50097166'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50097166
PNG
(CHEMBL3580669)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
Show InChI InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
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MMDB

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Article
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair