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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50090669'   
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))
BDBM50090669
PNG
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
100n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090669
PNG
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair