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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50151765'   
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 2


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair