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SMILES: O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1cnccn1

InChI Key: InChIKey=OPPGZSNTZPUSFU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393271   
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 3A4


(Homo sapiens (Human))		BDBM50393271
PNG
(CHEMBL2152022)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1cnccn1
Show InChI InChI=1S/C20H14N4O/c25-20(23-14-6-2-1-3-7-14)16-12-18(19-13-21-10-11-22-19)24-17-9-5-4-8-15(16)17/h1-13H,(H,23,25)
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Article
PubMed
 6.90E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substr...

J Med Chem 55: 280-90 (2012)


Article DOI: 10.1021/jm201207h
BindingDB Entry DOI: 10.7270/Q2251K9D
More data for this
Ligand-Target Pair