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SMILES: Clc1cccc(Cl)c1N1C(=O)\C(=C\c2coc3ccccc3c2=O)c2ccccc12

InChI Key: InChIKey=HHZMLXUEMCFXBW-SFQUDFHCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50044262   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50044262
PNG
(CHEMBL3314084)
Show SMILES Clc1cccc(Cl)c1N1C(=O)\C(=C\c2coc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C24H13Cl2NO3/c25-18-8-5-9-19(26)22(18)27-20-10-3-1-6-15(20)17(24(27)29)12-14-13-30-21-11-4-2-7-16(21)23(14)28/h1-13H/b17-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for ...


Eur J Med Chem 77: 185-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.003
BindingDB Entry DOI: 10.7270/Q2319XH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50044262
PNG
(CHEMBL3314084)
Show SMILES Clc1cccc(Cl)c1N1C(=O)\C(=C\c2coc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C24H13Cl2NO3/c25-18-8-5-9-19(26)22(18)27-20-10-3-1-6-15(20)17(24(27)29)12-14-13-30-21-11-4-2-7-16(21)23(14)28/h1-13H/b17-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for 10 mins prio...


Eur J Med Chem 77: 185-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.003
BindingDB Entry DOI: 10.7270/Q2319XH6
More data for this
Ligand-Target Pair