BDBM217116 US9302989, 411

SMILES c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4

InChI Key InChIKey=BLZJCPAXCWJANZ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   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(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
In Depth
Date in BDB:
3/13/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(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
In Depth
Date in BDB:
12/9/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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
In Depth
Date in BDB:
12/9/2019
Entry Details Article
PubMed