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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 = 'BDBM50252735'   
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))
BDBM50252735
PNG
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30)
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MMDB

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Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair