BindingDB logo
myBDB logout

BDBM50296522 CHEMBL561588::N-(5-(3-chlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide

SMILES: COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1

InChI Key: InChIKey=SMKHSRSPGAGESW-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296522   
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
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

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


(Homo sapiens (Human))
BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4151-8 (2009)

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


(Homo sapiens (Human))
BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair