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SMILES: CCN(CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1

InChI Key: InChIKey=CSWTXNVAULACPE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310779   
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))		BDBM50310779
PNG
(CHEMBL1078123 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...)
Show SMILES CCN(CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1
Show InChI InChI=1S/C44H47N5O6S2/c1-2-49(26-37(47-43(50)54-30-41-25-45-32-57-41)23-33-13-17-39(18-14-33)52-28-35-9-5-3-6-10-35)27-38(48-44(51)55-31-42-46-21-22-56-42)24-34-15-19-40(20-16-34)53-29-36-11-7-4-8-12-36/h3-22,25,32,37-38H,2,23-24,26-31H2,1H3,(H,47,50)(H,48,51)
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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