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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4
BDBM50305750

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))
BDBM50305750
PNG
(3-(4-(2-ethylphenoxy)piperidin-1-yl)-6-(1H-imidazo...)
Show SMILES CCc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C20H23N5O/c1-2-16-5-3-4-6-18(16)26-17-9-12-24(13-10-17)19-7-8-20(23-22-19)25-14-11-21-15-25/h3-8,11,14-15,17H,2,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair