Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-2 | ||
Ligand | BDBM50557883 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2060531 (CHEMBL4715532) | ||
IC50 | 50±n/a nM | ||
Citation | Qin, D; Lin, X; Liu, Z; Chen, Y; Zhang, Z; Wu, C; Liu, L; Pan, Y; Laquerre, S; Emery, J; Fergusson, J; Roland, K; Keenan, R; Oliff, A; Kumar, S; Cheung, M; Su, DS Discovery of Orally Bioavailable Ligand Efficient Quinazolindiones as Potent and Selective Tankyrases Inhibitors. ACS Med Chem Lett12:1005-1010 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase tankyrase-2 | |||
Name: | Poly [ADP-ribose] polymerase tankyrase-2 | ||
Synonyms: | (ARTD6 or PARP5b) | PARP5B | Poly [ADP-ribose] polymerase tankyrase-2 | TANK2 | TNKL | TNKS2 | TNKS2_HUMAN | TPoly [ADP-ribose] polymerase tankyrase-2 | Tankyrase 2 | Tankyrase II | Tankyrase-2 | Tankyrase-2 (TNKS-2) | Tankyrase-2 (TNKS2) | ||
Type: | Enzyme | ||
Mol. Mass.: | 126937.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9H2K2 | ||
Residue: | 1166 | ||
Sequence: |
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BDBM50557883 | |||
n/a | |||
Name | BDBM50557883 | ||
Synonyms: | CHEMBL4798387 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H28F3N5O4 | ||
Mol. Mass. | 591.5803 | ||
SMILES | COc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(50.15,-14.41,;51.48,-15.19,;51.48,-16.72,;50.15,-17.49,;50.15,-19.04,;51.49,-19.81,;52.83,-19.04,;54.17,-19.81,;54.17,-21.35,;52.84,-22.12,;51.51,-21.35,;50.18,-22.12,;50.18,-23.66,;51.52,-24.43,;52.85,-23.65,;54.19,-24.42,;55.53,-25.18,;51.54,-25.97,;50.13,-26.67,;53.12,-26.1,;51.37,-27.42,;55.51,-19.03,;56.85,-19.8,;55.51,-17.47,;56.84,-16.7,;58.17,-17.47,;58.17,-19.01,;59.5,-19.78,;60.83,-19.01,;60.83,-17.47,;59.49,-16.69,;62.17,-19.78,;62.17,-21.32,;63.5,-19.01,;64.83,-19.78,;64.83,-21.32,;66.16,-22.09,;67.49,-21.32,;67.49,-19.77,;66.16,-19.01,;54.15,-16.7,;54.15,-15.15,;52.82,-17.48,)| | ||
Structure |