BDBM213920 BDBM214376::US9283222, Table 3, Compound 27

SMILES O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccc2Cl)CC1

InChI Key InChIKey=GVWJZKMEBATZSU-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 = 213920   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 213920BDBM213920(US9283222, Table 3, Compound 27 | BDBM214376)
Affinity DataKi:  10nMpH: 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
In Depth
Date in BDB:
2/27/2017
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 213920BDBM213920(US9283222, Table 3, Compound 27 | BDBM214376)
Affinity DataKi:  10nMpH: 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
In Depth
Date in BDB:
2/27/2017
Entry Details
US Patent