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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4
BDBM50371086

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)
BDBM50371086
PNG
(CHEMBL227152)
Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1c(F)cccc1F
Show InChI InChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)18-6-7-19(26-25-18)27-12-9-15(10-13-27)29-20-16(22)4-3-5-17(20)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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