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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 = 'BDBM50501723'   
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)
BDBM50501723
PNG
(CHEMBL4080447)
Show SMILES Fc1cccc(F)c1-c1cnc(Cl)n1-c1ccc(Cl)cc1 |(15.83,-12.6,;16.98,-13.62,;18.44,-13.13,;19.6,-14.16,;19.28,-15.67,;17.82,-16.15,;17.51,-17.66,;16.68,-15.12,;15.21,-15.61,;14.74,-17.08,;13.22,-17.09,;12.73,-15.63,;11.26,-15.17,;13.96,-14.71,;13.95,-13.17,;15.28,-12.4,;15.27,-10.86,;13.93,-10.1,;13.91,-8.56,;12.6,-10.88,;12.61,-12.42,)|
Show InChI InChI=1S/C15H8Cl2F2N2/c16-9-4-6-10(7-5-9)21-13(8-20-15(21)17)14-11(18)2-1-3-12(14)19/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of COX-mediated PGD2/PGE2 production in arachidonic acid-stimulated RBL1 cells preincubated for 2 hrs followed by A23187 induction for 15 ...


J Med Chem 60: 5120-5145 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00475
BindingDB Entry DOI: 10.7270/Q21G0Q81
More data for this
Ligand-Target Pair