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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase (cyclooxygenase)' and Ligand = 'BDBM50074933'   
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)


(Ovis aries (Sheep))
BDBM50074933
PNG
(2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
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130n/an/an/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated


Bioorg Med Chem Lett 14: 667-71 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074933
PNG
(2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep


Bioorg Med Chem Lett 9: 307-12 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074933
PNG
(2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
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n/an/a 32n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Reverisible competitive inhibition of prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 667-71 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074933
PNG
(2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
PDB

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CHEMBL
PC cid
PC sid
PDB
UniChem

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



King's College London

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 18: 2204-18 (2010)


Article DOI: 10.1016/j.bmc.2010.01.070
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)