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SMILES: Cc1ccc(-c2ccccc2)c(n1)C(=O)N1CC2(CC2)C[C@H]1CNc1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=AORYYSDWZJZQSQ-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50491251   
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))		BDBM50491251
PNG
(CHEMBL2381076)
Show SMILES Cc1ccc(-c2ccccc2)c(n1)C(=O)N1CC2(CC2)C[C@H]1CNc1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N4O/c1-17-7-9-21(18-5-3-2-4-6-18)23(32-17)24(34)33-16-25(11-12-25)13-20(33)15-31-22-10-8-19(14-30-22)26(27,28)29/h2-10,14,20H,11-13,15-16H2,1H3,(H,30,31)/t20-/m0/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



Rottapharm Madaus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using BFC as substrate by fluorimetric assay

Bioorg Med Chem Lett 23: 2653-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.093
BindingDB Entry DOI: 10.7270/Q2CC13MH
More data for this
Ligand-Target Pair