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

InChI Key: InChIKey=ZHOHXFLPKBOXJU-FQLXRVMXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310761   
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))		BDBM50310761
PNG
(Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...)
Show SMILES CC(C)CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
Show InChI InChI=1S/C33H41N5O4S2/c1-25(2)13-15-38(20-28(17-26-9-5-3-6-10-26)36-32(39)41-22-30-19-34-24-44-30)21-29(18-27-11-7-4-8-12-27)37-33(40)42-23-31-35-14-16-43-31/h3-12,14,16,19,24-25,28-29H,13,15,17-18,20-23H2,1-2H3,(H,36,39)(H,37,40)/t28-,29-/m1/s1
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n/an/a 50n/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