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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50033737   
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))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human platelets COX1 assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 15 mins by...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50350507
PNG
(CHEMBL1814813)
Show SMILES CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C18H17NO3S/c1-19-23(2,21)15-10-8-13(9-11-15)16-12-22-18(20)17(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human platelets COX1 assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 15 mins by...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair