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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1' and Monomerid = 50066554   
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))
BDBM50066554
PNG
(5-[1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzof...)
Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc2c1OCC2(C)C
Show InChI InChI=1S/C18H22N2O2S/c1-17(2,3)11-6-10(8-13-15(21)20-16(19)23-13)7-12-14(11)22-9-18(12,4)5/h6-8H,9H2,1-5H3,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair