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SMILES: FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cncnc1

InChI Key: InChIKey=RVXOAGNZYPWFFX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495148   
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))		BDBM50495148
PNG
(CHEMBL3104479)
Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C22H19F6N5/c23-21(24,25)15-1-4-17(5-2-15)33(19-12-29-14-30-13-19)18-7-9-32(10-8-18)20-6-3-16(11-31-20)22(26,27)28/h1-6,11-14,18H,7-10H2
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MMDB

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n/an/a 6.30E+3n/an/an/an/an/an/a



Epichem Pty Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone

J Med Chem 56: 10158-70 (2013)


Article DOI: 10.1021/jm401610c
BindingDB Entry DOI: 10.7270/Q2VH5RT9
More data for this
Ligand-Target Pair