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SMILES: O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1

InChI Key: InChIKey=NFWXZIIEKXXDMY-IOWSJCHKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310763   
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))		BDBM50310763
PNG
(CHEMBL1077935 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...)
Show SMILES O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r|
Show InChI InChI=1S/C35H37N5O4S2/c41-34(43-24-32-20-36-26-46-32)38-30(18-27-10-4-1-5-11-27)22-40(21-29-14-8-3-9-15-29)23-31(19-28-12-6-2-7-13-28)39-35(42)44-25-33-37-16-17-45-33/h1-17,20,26,30-31H,18-19,21-25H2,(H,38,41)(H,39,42)/t30-,31+/m0/s1
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MMDB

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n/an/a 87n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline

Bioorg Med Chem Lett 19: 5444-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.118
BindingDB Entry DOI: 10.7270/Q21R6QN0
More data for this
Ligand-Target Pair