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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.8
BDBM50261894
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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)
BDBM50261894
PNG
(4-(2-chlorophenoxy)-N-phenylpiperidine-1-carboxami...)
Show SMILES Clc1ccccc1OC1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19ClN2O2/c19-16-8-4-5-9-17(16)23-15-10-12-21(13-11-15)18(22)20-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/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