BDBM213934 US9283222, Table 3, Compound 41

SMILES CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)C1

InChI Key InChIKey=REPVKMHWSZFQLQ-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 213934   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 213934BDBM213934(US9283222, Table 3, Compound 41)
Affinity DataKi:  27nMpH: 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
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Date in BDB:
2/27/2017
Entry Details
US Patent