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BDBM50326527 (4-bromophenyl)(4-(methylsulfonyl)phenyl)methanone::CHEMBL1240922

SMILES: CS(=O)(=O)c1ccc(cc1)C(=O)c1ccc(Br)cc1

InChI Key: InChIKey=MDJBMCZZYBLPTR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50326527   
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50326527
PNG
((4-bromophenyl)(4-(methylsulfonyl)phenyl)methanone...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by spectrophotometry


J Med Chem 53: 6560-71 (2010)


Article DOI: 10.1021/jm100398z
BindingDB Entry DOI: 10.7270/Q21R6QQW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50326527
PNG
((4-bromophenyl)(4-(methylsulfonyl)phenyl)methanone...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by spectrophotometry


J Med Chem 53: 6560-71 (2010)


Article DOI: 10.1021/jm100398z
BindingDB Entry DOI: 10.7270/Q21R6QQW
More data for this
Ligand-Target Pair