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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.4
BDBM50445792

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)
BDBM50445792
PNG
(CHEMBL3104821)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(C2CCCCO2)C1=O
Show InChI InChI=1S/C19H23N5O3S/c1-13-16(17(25)21-12-14-5-4-7-20-11-14)28-18(22-13)24-9-8-23(19(24)26)15-6-2-3-10-27-15/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair