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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1/2' and Ligand = 'BDBM50048009'   
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)
BDBM50048009
PNG
(5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl
Show InChI InChI=1S/C15H11Cl2N3S2/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(21)22-14/h2-7,18H,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase mediated PGF2-alpha formation in rat basophilic leukemia (RBL-1) cells


J Med Chem 36: 1802-10 (1993)


BindingDB Entry DOI: 10.7270/Q2542MPQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50048009
PNG
(5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl
Show InChI InChI=1S/C15H11Cl2N3S2/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(21)22-14/h2-7,18H,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.75E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cyclooxygenase was determined


Bioorg Med Chem Lett 2: 69-72 (1992)


Article DOI: 10.1016/S0960-894X(00)80657-5
BindingDB Entry DOI: 10.7270/Q29K4B4Q
More data for this
Ligand-Target Pair