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BDBM50156241 1-((Z)-1,2-Diphenyl-pent-1-enyl)-4-methanesulfonyl-benzene::CHEMBL365432

SMILES: CCC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=NNRYGGFTEVJTIV-VHXPQNKSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156241   
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))
BDBM50156241
PNG
(1-((Z)-1,2-Diphenyl-pent-1-enyl)-4-methanesulfonyl...)
Show SMILES CCC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C24H24O2S/c1-3-10-23(19-11-6-4-7-12-19)24(20-13-8-5-9-14-20)21-15-17-22(18-16-21)27(2,25)26/h4-9,11-18H,3,10H2,1-2H3/b24-23-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibition of ovine prostaglandin G/H synthase 2


J Med Chem 47: 6108-11 (2004)


Article DOI: 10.1021/jm049523y
BindingDB Entry DOI: 10.7270/Q2MG7P0Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50156241
PNG
(1-((Z)-1,2-Diphenyl-pent-1-enyl)-4-methanesulfonyl...)
Show SMILES CCC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C24H24O2S/c1-3-10-23(19-11-6-4-7-12-19)24(20-13-8-5-9-14-20)21-15-17-22(18-16-21)27(2,25)26/h4-9,11-18H,3,10H2,1-2H3/b24-23-
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
In vitro inhibition of ovine prostaglandin G/H synthase 1


J Med Chem 47: 6108-11 (2004)


Article DOI: 10.1021/jm049523y
BindingDB Entry DOI: 10.7270/Q2MG7P0Z
More data for this
Ligand-Target Pair