Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Poly [ADP-ribose] polymerase tankyrase-2 | ||
Ligand | BDBM50495334 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2060531 (CHEMBL4715532) | ||
IC50 | 79±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: |
| ||
BDBM50495334 | |||
n/a | |||
Name | BDBM50495334 | ||
Synonyms: | CHEMBL3109647 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H22F3N3O4 | ||
Mol. Mass. | 485.4551 | ||
SMILES | OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1 |r,wU:3.2,wD:6.6,(28.1,-25.27,;28.1,-23.73,;29.44,-22.98,;26.77,-22.95,;25.43,-23.71,;24.11,-22.94,;24.12,-21.4,;22.79,-20.63,;21.46,-21.4,;21.46,-22.94,;22.79,-23.71,;20.12,-23.71,;20.11,-25.25,;18.78,-26.02,;17.45,-25.24,;16.11,-26.01,;16.11,-27.55,;17.45,-28.31,;18.78,-27.55,;20.11,-28.31,;21.45,-29.08,;17.45,-29.85,;18.79,-30.63,;16.12,-30.63,;17.44,-31.39,;18.79,-22.94,;17.45,-23.71,;16.12,-22.94,;16.12,-21.4,;17.45,-20.63,;18.79,-21.39,;20.12,-20.62,;20.12,-19.08,;25.45,-20.63,;26.78,-21.41,)| | ||
Structure |