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

InChI Key: InChIKey=INGULWRLHYWXJR-VSGBNLITSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310759   
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))		BDBM50310759
PNG
(Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...)
Show SMILES CC(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
Show InChI InChI=1S/C32H39N5O4S2/c1-24(2)18-37(19-27(15-25-9-5-3-6-10-25)35-31(38)40-21-29-17-33-23-43-29)20-28(16-26-11-7-4-8-12-26)36-32(39)41-22-30-34-13-14-42-30/h3-14,17,23-24,27-28H,15-16,18-22H2,1-2H3,(H,35,38)(H,36,39)/t27-,28-/m1/s1
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n/an/a 67n/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