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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 = 'BDBM50057592'   
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


(Ovis aries (Sheep))		BDBM50057592
PNG
(4-[5-(2,3-Dihydro-benzofuran-5-yl)-3-trifluorometh...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2OCCc2c1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)17-10-15(11-1-6-16-12(9-11)7-8-27-16)24(23-17)13-2-4-14(5-3-13)28(22,25)26/h1-6,9-10H,7-8H2,(H2,22,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50057592
PNG
(4-[5-(2,3-Dihydro-benzofuran-5-yl)-3-trifluorometh...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2OCCc2c1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)17-10-15(11-1-6-16-12(9-11)7-8-27-16)24(23-17)13-2-4-14(5-3-13)28(22,25)26/h1-6,9-10H,7-8H2,(H2,22,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)

J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair