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SMILES: Cc1ccc(C)c(OCN2Cc3ccccc3C2C=O)c1

InChI Key: InChIKey=YDZMAHZCWKLUKT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479537   
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))		BDBM50479537
PNG
(CHEMBL504747)
Show SMILES Cc1ccc(C)c(OCN2Cc3ccccc3C2C=O)c1
Show InChI InChI=1S/C18H19NO2/c1-13-7-8-14(2)18(9-13)21-12-19-10-15-5-3-4-6-16(15)17(19)11-20/h3-9,11,17H,10,12H2,1-2H3
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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