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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.5
BDBM50425262

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))
BDBM50425262
PNG
(CHEMBL2315476)
Show SMILES CCCNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2
Show InChI InChI=1S/C29H32F3N5O2/c1-2-15-33-27(38)23-10-11-26(35-34-23)36-16-12-28(13-17-36)14-18-37(24-8-3-4-9-25(24)39-28)20-21-6-5-7-22(19-21)29(30,31)32/h3-11,19H,2,12-18,20H2,1H3,(H,33,38)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Bioorg Med Chem Lett 23: 791-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6
More data for this
Ligand-Target Pair