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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50523304   
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))
BDBM50523304
PNG
(CHEMBL4542774)
Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1
Show InChI InChI=1S/C19H13BrN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...


Eur J Med Chem 167: 562-582 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.034
BindingDB Entry DOI: 10.7270/Q2DN48FJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50523304
PNG
(CHEMBL4542774)
Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1
Show InChI InChI=1S/C19H13BrN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...


Eur J Med Chem 167: 562-582 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.034
BindingDB Entry DOI: 10.7270/Q2DN48FJ
More data for this
Ligand-Target Pair