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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase (Cyclooxygenase-2)' and Ligand = 'BDBM50376868'   
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376868
PNG
(CHEMBL261429)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2c(Cl)cccc12)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N4O2S/c19-14-3-1-2-12-13(9-24-17(12)14)15-8-16(18(20,21)22)25-26(15)10-4-6-11(7-5-10)29(23,27)28/h1-7,9,15,24H,8H2,(H2,23,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376868
PNG
(CHEMBL261429)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2c(Cl)cccc12)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N4O2S/c19-14-3-1-2-12-13(9-24-17(12)14)15-8-16(18(20,21)22)25-26(15)10-4-6-11(7-5-10)29(23,27)28/h1-7,9,15,24H,8H2,(H2,23,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376868
PNG
(CHEMBL261429)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2c(Cl)cccc12)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N4O2S/c19-14-3-1-2-12-13(9-24-17(12)14)15-8-16(18(20,21)22)25-26(15)10-4-6-11(7-5-10)29(23,27)28/h1-7,9,15,24H,8H2,(H2,23,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair