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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM54705'   
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))
BDBM54705
PNG
(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
PDB
MMDB

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MCE
KEGG
PC cid
PC sid
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Article
PubMed
5.90E+3n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM54705
PNG
(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database




Am J Med 104: 413-21 (1998)


Article DOI: 10.1016/s0002-9343(98)00091-6
BindingDB Entry DOI: 10.7270/Q2F18X97
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM54705
PNG
(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
PDB
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KEGG

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM54705
PNG
(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
PDB
MMDB

KEGG

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay


Bioorg Med Chem 26: 4113-4126 (2018)


Article DOI: 10.1016/j.bmc.2018.06.038
BindingDB Entry DOI: 10.7270/Q2S1855F
More data for this
Ligand-Target Pair