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BDBM50312683 2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl)thiazole-5-carboxamide::CHEMBL1076688

SMILES: NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F

InChI Key: InChIKey=VXTIWKKEIPKNMR-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50312683   
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))
BDBM50312683
PNG
(2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl...)
Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...


Bioorg Med Chem Lett 20: 1593-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.083
BindingDB Entry DOI: 10.7270/Q2DJ5FR0
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312683
PNG
(2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl...)
Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Bioorg Med Chem Lett 20: 1593-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.083
BindingDB Entry DOI: 10.7270/Q2DJ5FR0
More data for this
Ligand-Target Pair