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Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50538668'   
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))		BDBM50538668
PNG
(CHEMBL4634455 | US11518761, Example 159)
Show SMILES Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1
Show InChI InChI=1S/C14H11F3N6O/c15-14(16,17)7-3-4-19-9(5-7)24-13-10-11(18)20-6-21-12(10)23(22-13)8-1-2-8/h3-6,8H,1-2H2,(H2,18,20,21)
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PC cid
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Article
PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins by LC-MS/MS analysis

J Med Chem 63: 6144-6163 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00419
BindingDB Entry DOI: 10.7270/Q21C21CT
More data for this
Ligand-Target Pair