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SMILES: CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=LJDAHEPYRINDLT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50432282   
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 1


(Homo sapiens (Human))
BDBM50432282
PNG
(CHEMBL2347670)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay


Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50432282
PNG
(CHEMBL2347670)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
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 310n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay


Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair