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SMILES: CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1

InChI Key: InChIKey=UTFRBPAGKUDDNY-NSOVKSMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310782   
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))		BDBM50310782
PNG
(Bis-N-[(S)-2-(thien-2-ylmethoxycarbonylamino)-3-ph...)
Show SMILES CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1 |r|
Show InChI InChI=1S/C32H37N3O4S2/c1-2-35(21-27(19-25-11-5-3-6-12-25)33-31(36)38-23-29-15-9-17-40-29)22-28(20-26-13-7-4-8-14-26)34-32(37)39-24-30-16-10-18-41-30/h3-18,27-28H,2,19-24H2,1H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1
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n/an/a 741n/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