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SMILES: CCN(CC(Cc1ccc(O)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(O)cc1)NC(=O)OCc1nccs1

InChI Key: InChIKey=HMEXQGCRIYZAFX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310778   
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))		BDBM50310778
PNG
(CHEMBL1078122 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...)
Show SMILES CCN(CC(Cc1ccc(O)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(O)cc1)NC(=O)OCc1nccs1
Show InChI InChI=1S/C30H35N5O6S2/c1-2-35(16-23(13-21-3-7-25(36)8-4-21)33-29(38)40-18-27-15-31-20-43-27)17-24(14-22-5-9-26(37)10-6-22)34-30(39)41-19-28-32-11-12-42-28/h3-12,15,20,23-24,36-37H,2,13-14,16-19H2,1H3,(H,33,38)(H,34,39)
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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