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BDBM50296531 CHEMBL550800::N-(5-(3,4-dichlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide

SMILES: COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1

InChI Key: InChIKey=LPRGOUWFYMYHEJ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296531   
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)
BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.800n/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))
BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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))
BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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 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