BDBM217116 US9302989, 411

SMILES O=C(Nc1ccc(cc1)C(=O)NC[C@@H]1CCOC1)N1Cc2ccccc2C1

InChI Key InChIKey=BLZJCPAXCWJANZ-HNNXBMFYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 217116   

TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM217116(US9302989, 411)
Affinity DataIC50:  19.7nMpH: 7.5Assay Description:Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCytochrome P450 2C9(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM217116(US9302989, 411)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM217116(US9302989, 411)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed