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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1/2' and Ligand = 'BDBM50076667'   
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
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50076667
PNG
(CHEMBL175995 | ethyl 1-methyl-3-[1-(4-methoxypheny...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)OC
Show InChI InChI=1S/C24H25N3O4/c1-5-18-7-9-19(10-8-18)23-16-20(11-6-17(2)27(29)24(28)31-4)25-26(23)21-12-14-22(30-3)15-13-21/h7-10,12-17,29H,5H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 750n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair