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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 = 'BDBM409352'   
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))		BDBM409352
PNG
(5-[[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyri...)
Show SMILES Cc1noc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)n1
Show InChI InChI=1S/C18H15FN4O/c1-11-7-13(3-4-15(11)19)14-8-17-16(20-9-14)5-6-23(17)10-18-21-12(2)22-24-18/h3-9H,10H2,1-2H3
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MMDB

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Article
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n/an/a 4.90E+3n/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