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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50512019   
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))
BDBM50512019
PNG
(CHEMBL4559201)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCSCC1
Show InChI InChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
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 670n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay


Eur J Med Chem 169: 168-184 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.008
BindingDB Entry DOI: 10.7270/Q2K077MH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50512019
PNG
(CHEMBL4559201)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCSCC1
Show InChI InChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.41E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...


Eur J Med Chem 169: 168-184 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.008
BindingDB Entry DOI: 10.7270/Q2K077MH
More data for this
Ligand-Target Pair