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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 357.3
BDBM50445747

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)
BDBM50445747
PNG
(CHEMBL3104411)
Show SMILES Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1ccc(O)cc1=O
Show InChI InChI=1S/C16H15N5O3S/c1-9-6-18-11(7-17-9)8-19-15(24)14-10(2)20-16(25-14)21-4-3-12(22)5-13(21)23/h3-7,22H,8H2,1-2H3,(H,19,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 342n/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: 526-31 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1
More data for this
Ligand-Target Pair