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SMILES: O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)Cc1ccccc1)OCc1cncs1

InChI Key: InChIKey=QYQNOMZLEZZSFR-NSOVKSMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310760   
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))		BDBM50310760
PNG
(Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...)
Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)Cc1ccccc1)OCc1cncs1 |r|
Show InChI InChI=1S/C32H37N5O4S2/c38-31(40-21-29-17-33-23-43-29)35-27(15-24-7-3-1-4-8-24)19-37(18-26-11-12-26)20-28(16-25-9-5-2-6-10-25)36-32(39)41-22-30-34-13-14-42-30/h1-10,13-14,17,23,26-28H,11-12,15-16,18-22H2,(H,35,38)(H,36,39)/t27-,28-/m0/s1
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MMDB

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n/an/a 52n/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