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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' and Ligand = 'BDBM50084370'   
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


(Homo sapiens (Human))
BDBM50084370
PNG
(4-[3-(3-Chloro-4-methoxy-phenyl)-2-oxo-2,3-dihydro...)
Show SMILES COc1ccc(cc1Cl)-n1c(coc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
n/an/a 5.79E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Binding affinity towards Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 13: 3753-7 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2BS0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50084370
PNG
(4-[3-(3-Chloro-4-methoxy-phenyl)-2-oxo-2,3-dihydro...)
Show SMILES COc1ccc(cc1Cl)-n1c(coc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1


J Med Chem 43: 214-23 (2000)


BindingDB Entry DOI: 10.7270/Q2DV1KK0
More data for this
Ligand-Target Pair