BDBM213911 BDBM214404::US9283222, Table 3, Compound 18

SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1

InChI Key InChIKey=KIUHBHFVVQQALF-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 213911   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM213911(BDBM214404 | US9283222, Table 3, Compound 18)
Affinity DataKi:  0.700nMpH: 8.0Assay Description:PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM213911(BDBM214404 | US9283222, Table 3, Compound 18)
Affinity DataKi:  0.700nMpH: 8.0Assay Description:PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent