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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.3
BDBM50338528

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))
BDBM50338528
PNG
(1-((1-(cyclopropylmethyl)cyclobutyl)methyl)-N-(1-m...)
Show SMILES Cn1ccc(NC(=O)c2cn(CC3(CC4CC4)CCC3)cn2)n1
Show InChI InChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA


Bioorg Med Chem Lett 21: 1621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J
More data for this
Ligand-Target Pair