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BDBM50296304 4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide::CHEMBL549758

SMILES: CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1

InChI Key: InChIKey=PHJZFBFLKLOXTJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50296304   
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
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50296304
PNG
(4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromet...)
Show SMILES CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-2-30-18-7-6-15(12-19(18)31-9-8-28)20(29)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,2,8-9,11H2,1H3,(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296304
PNG
(4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromet...)
Show SMILES CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-2-30-18-7-6-15(12-19(18)31-9-8-28)20(29)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,2,8-9,11H2,1H3,(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair