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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50365161'   
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 1


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins 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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation 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