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SMILES: CC(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1

InChI Key: InChIKey=HRKUGDRGFCGVFI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479539   
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))		BDBM50479539
PNG
(CAS 307545-04-6 | CHEMBL491275)
Show SMILES CC(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H18N2O2S/c1-12(2)13-7-9-14(10-8-13)22-11-17(21)20-18-19-15-5-3-4-6-16(15)23-18/h3-10,12H,11H2,1-2H3,(H,19,20,21)
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<5.00E+7n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 52: 1247-50 (2009)


Article DOI: 10.1021/jm801278g
BindingDB Entry DOI: 10.7270/Q23T9M14
More data for this
Ligand-Target Pair