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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 2 | ||
| Ligand | BDBM50446537 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1286324 (CHEMBL3111451) | ||
| IC50 | 1760±n/a nM | ||
| Citation |  Hua, Z; Bregman, H; Buchanan, JL; Chakka, N; Guzman-Perez, A; Gunaydin, H; Huang, X; Gu, Y; Berry, V; Liu, J; Teffera, Y; Huang, L; Egge, B; Emkey, R; Mullady, EL; Schneider, S; Andrews, PS; Acquaviva, L; Dovey, J; Mishra, A; Newcomb, J; Saffran, D; Serafino, R; Strathdee, CA; Turci, SM; Stanton, M; Wilson, C; Dimauro, EF Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J Med Chem56:10003-15 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Poly [ADP-ribose] polymerase 2 | |||
| Name: | Poly [ADP-ribose] polymerase 2 | ||
| Synonyms: | (ARTD2 or PARP2) | ADPRT2 | ADPRTL2 | PARP2 | PARP2_HUMAN | Poly [ADP-ribose] polymerase 2 (PARP-2) | Poly [ADP-ribose] polymerase 2 (PARP2) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 66225.70 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q9UGN5 | ||
| Residue: | 583 | ||
| Sequence: |
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| BDBM50446537 | |||
| n/a | |||
| Name | BDBM50446537 | ||
| Synonyms: | CHEMBL3110100 | US9505749, 106 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H24N4O3S | ||
| Mol. Mass. | 448.537 | ||
| SMILES | O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:20.25,wD:17.18,(59.2,-17.39,;59.2,-18.93,;57.86,-19.7,;56.53,-18.93,;55.19,-19.69,;53.86,-18.92,;52.51,-19.69,;51.18,-18.92,;49.85,-19.68,;48.51,-18.91,;48.51,-17.37,;49.84,-16.6,;51.18,-17.36,;52.52,-16.58,;52.52,-15.04,;53.86,-17.36,;60.53,-19.71,;61.86,-18.92,;63.2,-19.69,;64.53,-18.91,;64.52,-17.37,;63.17,-16.61,;61.85,-17.39,;65.85,-16.59,;67.19,-17.35,;67.2,-18.89,;68.54,-19.64,;69.87,-18.86,;69.85,-17.31,;68.51,-16.56,;71.21,-19.62,;72.55,-20.37,)| | ||
| Structure | 
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