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SMILES: Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1

InChI Key: InChIKey=IKQMQSFNINGJEH-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50491248   
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))		BDBM50491248
PNG
(CHEMBL2381100)
Show SMILES Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H23F3N4OS/c1-15-30-20(21(33-15)16-5-3-2-4-6-16)22(32)31-14-23(9-10-23)11-18(31)13-29-19-8-7-17(12-28-19)24(25,26)27/h2-8,12,18H,9-11,13-14H2,1H3,(H,28,29)/t18-/m0/s1
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n/an/a>1.00E+5n/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