new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50022226   
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))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
19n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 51: 648-54 (2008)


Article DOI: 10.1021/jm701130z
BindingDB Entry DOI: 10.7270/Q2M32VH2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50232842
PNG
(3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-4H-chrome...)
Show SMILES CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C18H12Br2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
101n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 51: 648-54 (2008)


Article DOI: 10.1021/jm701130z
BindingDB Entry DOI: 10.7270/Q2M32VH2
More data for this
Ligand-Target Pair