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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 = 'BDBM50084374'   
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))
BDBM50084374
PNG
(4-[3-(4-Ethyl-phenyl)-2-oxo-2,3-dihydro-oxazol-4-y...)
Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O4S/c1-2-12-3-7-14(8-4-12)19-16(11-23-17(19)20)13-5-9-15(10-6-13)24(18,21)22/h3-11H,2H2,1H3,(H2,18,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.04E+4n/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))
BDBM50084374
PNG
(4-[3-(4-Ethyl-phenyl)-2-oxo-2,3-dihydro-oxazol-4-y...)
Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O4S/c1-2-12-3-7-14(8-4-12)19-16(11-23-17(19)20)13-5-9-15(10-6-13)24(18,21)22/h3-11H,2H2,1H3,(H2,18,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.04E+4n/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