Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
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 PubChem ID
CID: 23725625
SID: 85197660
Canonical SMILES
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
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Compound Formula C24H23FN4O3
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
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.63 nM
   TI
   LI
   LO
   TS
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 60 nM
   TI
   LI
   LO
   TS
CL000623 OVCAR-8
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 0.9 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.8 nM
   TI
   LI
   LO
   TS
3
IC50 = 3.59 nM
   TI
   LI
   LO
   TS
4
IC50 = 36 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.6 nM
2 IC50 = 0.73 nM
3 IC50 = 0.9 nM
4 IC50 = 1 nM
5 IC50 = 1.1 nM
6 IC50 = 1.4 nM
7 IC50 = 1.55 nM
8 IC50 = 1.94 nM
9 IC50 = 2.09 nM
10 IC50 = 3.59 nM
11 IC50 = 3.99 nM
12 IC50 = 4 nM
13 IC50 = 4.19 nM
14 IC50 = 5 nM
15 IC50 = 5.012 nM
16 IC50 = 5.1 nM
17 IC50 = 5.22 nM
18 IC50 = 6 nM
19 IC50 = 7 nM
20 IC50 = 8 nM
21 IC50 = 10.62 nM
22 IC50 = 11 nM
23 IC50 = 11.36 nM
24 IC50 = 11.9 nM
25 IC50 = 12 nM
26 IC50 = 15.5 nM
27 IC50 = 19.1 nM
28 IC50 = 20 nM
29 IC50 = 34.15 nM
30 IC50 = 84.96 nM
31 IC50 = 86.32 nM
32 IC50 = 1260 nM
33 IC50 = 7090 nM
34 Kd = 0.24 nM
35 Kd = 0.31 nM
36 Kd = 0.8 nM
37 Ki = 0.787 nM