Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
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 PubChem ID
CID: 11960529
SID: 17418828
Canonical SMILES
C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
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Compound Formula C13H16N4O
Compound Structure
Protein Name
 Protein Info 
Poly [ADP-ribose] polymerase 1
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P09874
Gene Name
PARP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000337 C-4-I
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 2 nM
   TI
   LI
   LO
   TS
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 1.1 nM
3 IC50 = 4.73 nM
4 IC50 = 5 nM
5 IC50 = 6 nM
6 IC50 = 16 nM
7 IC50 = 19 nM
8 IC50 = 55 nM
9 Kd = 1.7 nM
10 Kd = 2.9 nM
11 Ki = 3.3 nM
12 Ki = 5 nM