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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 = 'BDBM50090670'   
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))
BDBM50090670
PNG
(4-Acetyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C17H15N3O3S/c1-13(21)14-7-9-16(10-8-14)24(22,23)19-17-11-12-18-20(17)15-5-3-2-4-6-15/h2-12,19H,1H3
PDB
MMDB

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PC cid
PC sid
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme


J Med Chem 43: 2789-96 (2000)


BindingDB Entry DOI: 10.7270/Q2K64H9Q
More data for this
Ligand-Target Pair