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 9 hits for monomerid = 27135   

TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataKd:  5.80nMAssay Description:Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysisMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  138nMAssay Description:Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  137nMAssay Description:Inhibition of recombinant human His6-tagged PARP2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  17nMAssay Description:Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  18nMAssay Description:Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  70nMAssay Description:Inhibition of recombinant human PARP2 using histone as substrate after 1.5 hr in presence of NAD+ by ELISAMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human PARP2 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50: <10nMAssay Description:Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of PARP-2 (unknown origin) after 1 hr in presence of NAD+/biotinylated NAD+/slDNA by ELISAMore data for this Ligand-Target Pair