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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 1 | ||
| Ligand | BDBM138300 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Biochemical Assay | ||
| IC50 | 160±n/a nM | ||
| Citation |  Papeo, GM; Anatolievna Busel, A; Khvat, A; Krasavin, MY; Forte, B; Zuccotto, F 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors US Patent US8877944 Publication Date 11/4/2014 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Poly [ADP-ribose] polymerase 1 | |||
| Name: | Poly [ADP-ribose] polymerase 1 | ||
| Synonyms: | Adprp | Adprt | Adprt1 | PARP1_MOUSE | Parp1 | Poly [ADP-ribose] polymerase 1 (Parp1) | Poly [ADP-ribose] polymerase-1 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 113131.74 | ||
| Organism: | Mus musculus | ||
| Description: | ChEMBL_159828 | ||
| Residue: | 1013 | ||
| Sequence: |
| ||
| BDBM138300 | |||
| n/a | |||
| Name | BDBM138300 | ||
| Synonyms: | US8877944, 2 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H29N3O3 | ||
| Mol. Mass. | 371.4733 | ||
| SMILES | CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| | ||
| Structure | 
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