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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
BDBM50371061

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)
BDBM50371061
PNG
(CHEMBL388508)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C18H16F3N5O2/c19-18(20,21)17-22-16(25-28-17)14-6-7-15(24-23-14)26-10-8-13(9-11-26)27-12-4-2-1-3-5-12/h1-7,13H,8-11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)


Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG
More data for this
Ligand-Target Pair