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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.4
BDBM50445801

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)
BDBM50445801
PNG
(CHEMBL3104610)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cnc(Cc2ccccc2)o1
Show InChI InChI=1S/C22H19N3O2S/c1-15-20(21(26)24-13-17-10-6-3-7-11-17)28-22(25-15)18-14-23-19(27-18)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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