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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.3
BDBM50301065

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))
BDBM50301065
PNG
(2-(4-benzoylpiperazin-1-yl)thiazole-5-carboxamide ...)
Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c16-13(20)12-10-17-15(22-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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)


Article DOI: 10.1016/j.bmcl.2009.07.015
BindingDB Entry DOI: 10.7270/Q2V9884M
More data for this
Ligand-Target Pair