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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4
BDBM50329988

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))
BDBM50329988
PNG
(2-(biphenyl-4-yl)-7-(methylsulfonyl)imidazo[1,2-a]...)
Show SMILES CS(=O)(=O)c1ccn2cc(nc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1


Bioorg Med Chem Lett 20: 6366-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.094
BindingDB Entry DOI: 10.7270/Q20V8D1P
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50329988
PNG
(2-(biphenyl-4-yl)-7-(methylsulfonyl)imidazo[1,2-a]...)
Show SMILES CS(=O)(=O)c1ccn2cc(nc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD1


Bioorg Med Chem Lett 20: 6366-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.094
BindingDB Entry DOI: 10.7270/Q20V8D1P
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens (Human))
BDBM50329988
PNG
(2-(biphenyl-4-yl)-7-(methylsulfonyl)imidazo[1,2-a]...)
Show SMILES CS(=O)(=O)c1ccn2cc(nc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Bioorg Med Chem Lett 20: 6366-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.094
BindingDB Entry DOI: 10.7270/Q20V8D1P
More data for this
Ligand-Target Pair