BDBM27135 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide::VELIPARIB::benzimidazole carboxamide, 3a

SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1

InChI Key InChIKey=JNAHVYVRKWKWKQ-CYBMUJFWSA-N

Data  2 KI  45 IC50  2 Kd  5 EC50

PDB links: 6 PDB IDs match this monomer.

  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 5 hits for monomerid = 27135   

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

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataEC50:  1.60E+5nMAssay Description:Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataEC50:  5.90nMAssay Description:Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataEC50:  2nMAssay Description:Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataEC50:  400nMAssay Description:Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 0.5 hrs by fluorescenc...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataEC50:  3.00E+3nMAssay Description:Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assay in presence of 100 uM of temozolomideMore data for this Ligand-Target Pair