BindingDB logo
myBDB logout

BDBM50301059 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid::CHEMBL569610

SMILES: OC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F

InChI Key: InChIKey=PHZDRQUKVAZUCA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50301059   
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 (SCD1)


(Rattus norvegicus (Rat))
BDBM50301059
PNG
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Show SMILES OC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA


Bioorg Med Chem Lett 19: 5214-7 (2009)

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


(Homo sapiens (Human))
BDBM50301059
PNG
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Show SMILES OC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells by whole cell assay


Bioorg Med Chem Lett 19: 5214-7 (2009)

More data for this
Ligand-Target Pair