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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 = 'BDBM50365157'   
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))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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 155n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair