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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 350.2
BDBM50338533

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))
BDBM50338533
PNG
(CHEMBL1683588 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)
Show SMILES Cn1ccc(NC(=O)c2ncn(Cc3cccc(c3)C(F)(F)F)n2)n1
Show InChI InChI=1S/C15H13F3N6O/c1-23-6-5-12(21-23)20-14(25)13-19-9-24(22-13)8-10-3-2-4-11(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 113n/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