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SMILES: Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=HTMKLWJRQWUJON-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50365754   
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))
BDBM50365754
PNG
(CHEMBL1956382)
Show SMILES Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21)
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>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50365754
PNG
(CHEMBL1956382)
Show SMILES Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair