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BDBM50156245 1-((Z)-1,2-Diphenyl-hex-1-enyl)-4-methanesulfonyl-benzene::CHEMBL188624

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

InChI Key: InChIKey=STGWPHUHCYHBDP-IZHYLOQSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156245   
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)


(Ovis aries (Sheep))
BDBM50156245
PNG
(1-((Z)-1,2-Diphenyl-hex-1-enyl)-4-methanesulfonyl-...)
Show SMILES CCCC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C25H26O2S/c1-3-4-15-24(20-11-7-5-8-12-20)25(21-13-9-6-10-14-21)22-16-18-23(19-17-22)28(2,26)27/h5-14,16-19H,3-4,15H2,1-2H3/b25-24-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50156245
PNG
(1-((Z)-1,2-Diphenyl-hex-1-enyl)-4-methanesulfonyl-...)
Show SMILES CCCC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C25H26O2S/c1-3-4-15-24(20-11-7-5-8-12-20)25(21-13-9-6-10-14-21)22-16-18-23(19-17-22)28(2,26)27/h5-14,16-19H,3-4,15H2,1-2H3/b25-24-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/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