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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50075532   
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-2 (COX-2)


(Mus musculus (Mouse))
BDBM50075532
PNG
(2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]oxadi...)
Show SMILES CSc1nnc(o1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-16(2,3)11-8-10(14-18-19-15(21-14)22-7)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line


J Med Chem 42: 1161-9 (1999)


Article DOI: 10.1021/jm980570y
BindingDB Entry DOI: 10.7270/Q2154G6N
More data for this
Ligand-Target Pair