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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM409569'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM409569
PNG
(N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...)
Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3
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MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes

ACS Med Chem Lett 10: 261-266 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00542
BindingDB Entry DOI: 10.7270/Q2B85CG6
More data for this
Ligand-Target Pair