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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.3
BDBM50262530

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


(Mus musculus)
BDBM50262530
PNG
(CHEMBL479249 | N-methyl-4-(4-(2-(trifluoromethyl)b...)
Show SMILES CNC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O2/c1-24-18(27)14-6-8-15(9-7-14)25-10-12-26(13-11-25)19(28)16-4-2-3-5-17(16)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD1


Bioorg Med Chem Lett 18: 4298-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG
More data for this
Ligand-Target Pair