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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1' and Monomerid = 50125624   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50125624
PNG
(3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl...)
Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClO5S/c1-18(21)16(12-5-9-14(10-6-12)25(2,22)23)15(17(20)24-18)11-3-7-13(19)8-4-11/h3-10,21H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 1 in the sensitive U937 microsome assay


Bioorg Med Chem Lett 13: 1195-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00046-5
BindingDB Entry DOI: 10.7270/Q2GT5MJR
More data for this
Ligand-Target Pair