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SMILES: NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1

InChI Key: InChIKey=FVTGEGACMCKYGO-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 3 hits for monomerid = 50136106   
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))
BDBM50136106
PNG
(4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1
Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50136106
PNG
(4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1
Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)
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 50n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50136106
PNG
(4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1
Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1)


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair