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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM296301'   
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 2C9


(Homo sapiens (Human))		BDBM296301
PNG
(US10112937, Example 404)
Show SMILES CCn1ccc(n1)-n1nnc2CN([C@@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N6O/c1-3-27-8-7-16(25-27)29-15-9-11(2)28(10-14(15)24-26-29)18(30)12-5-4-6-13(17(12)20)19(21,22)23/h4-8,11H,3,9-10H2,1-2H3/t11-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide or diclofenac as substrates

J Med Chem 61: 207-223 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01279
BindingDB Entry DOI: 10.7270/Q26T0Q2B
More data for this
Ligand-Target Pair