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SMILES: O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc2ccccc2c1)Cc1ccccc1)OCc1cncs1

InChI Key: InChIKey=FNQUUONWSOHCPS-JHOUSYSJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310769   
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))		BDBM50310769
PNG
(CHEMBL1077941 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...)
Show SMILES O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc2ccccc2c1)Cc1ccccc1)OCc1cncs1 |r|
Show InChI InChI=1S/C38H38N6O4S2/c45-37(47-25-34-21-39-27-50-34)42-32(18-28-9-3-1-4-10-28)23-44(22-30-17-31-13-7-8-14-35(31)41-20-30)24-33(19-29-11-5-2-6-12-29)43-38(46)48-26-36-40-15-16-49-36/h1-17,20-21,27,32-33H,18-19,22-26H2,(H,42,45)(H,43,46)/t32-,33+/m0/s1
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MMDB

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n/an/a 70n/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