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SMILES: CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1

InChI Key: InChIKey=VGWCZAIIXZBYSZ-NSOVKSMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310784   
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))		BDBM50310784
PNG
(Bis-N-[(S)-2-(pyrazol-4-ylmethoxycarbonylamino)-3-...)
Show SMILES CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1 |r|
Show InChI InChI=1S/C30H37N7O4/c1-2-37(19-27(13-23-9-5-3-6-10-23)35-29(38)40-21-25-15-31-32-16-25)20-28(14-24-11-7-4-8-12-24)36-30(39)41-22-26-17-33-34-18-26/h3-12,15-18,27-28H,2,13-14,19-22H2,1H3,(H,31,32)(H,33,34)(H,35,38)(H,36,39)/t27-,28-/m0/s1
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MMDB

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n/an/a>300n/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