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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 = 'BDBM50183229'   
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))
BDBM50183229
PNG
(1-((6-((1R,2R)-1-(1H-imidazol-1-yl)-2-(isopropyl(m...)
Show SMILES CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C27H35N3O3/c1-19(2)29(4)20(3)25(30-14-13-28-18-30)23-8-7-22-16-24(10-9-21(22)15-23)33-17-27(26(31)32)11-5-6-12-27/h7-10,13-16,18-20,25H,5-6,11-12,17H2,1-4H3,(H,31,32)/t20-,25+/m1/s1
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MMDB

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n/an/a 800n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 2729-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair