BDBM50448651 CHEMBL3127537::US9102669, 36

SMILES COc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12

InChI Key InChIKey=XTZUCMWDWNWYFV-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50448651   

TargetStearoyl-CoA desaturase(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50448651(CHEMBL3127537 | US9102669, 36)
Affinity DataIC50: 4nMAssay Description:Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetAcyl-CoA desaturase 1(Rat)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50448651(CHEMBL3127537 | US9102669, 36)
Affinity DataIC50: 12nMAssay Description:Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetAcyl-CoA desaturase 1(Rat)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50448651(CHEMBL3127537 | US9102669, 36)
Affinity DataIC50: 79nMT: 2°CAssay Description:The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/5/2016
Entry Details
US Patent