Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-1 | ||
Ligand | BDBM50557880 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2060530 (CHEMBL4715531) | ||
IC50 | 2.0±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-1 | |||
Name: | Poly [ADP-ribose] polymerase tankyrase-1 | ||
Synonyms: | (ARTD5 or PARP5a) | PARP5A | PARPL | Poly [ADP-ribose] polymerase 5 (PARP5) | Poly [ADP-ribose] polymerase tankyrase-1 | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase 1 | Tankyrase 1/2 | Tankyrase-1 | Tankyrase-1 (TNKS-1) | Tankyrase-1 (TNKS1) | ||
Type: | Enzyme | ||
Mol. Mass.: | 142058.03 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O95271 | ||
Residue: | 1327 | ||
Sequence: |
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BDBM50557880 | |||
n/a | |||
Name | BDBM50557880 | ||
Synonyms: | CHEMBL4794878 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H26F3N5O3 | ||
Mol. Mass. | 561.5543 | ||
SMILES | FC(F)(F)c1cccc(Cn2c3ccccc3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:24.28,wD:21.21,(48.5,-12.23,;49.91,-11.53,;51.49,-11.66,;49.75,-12.97,;49.9,-9.99,;48.55,-9.22,;48.55,-7.68,;49.88,-6.91,;51.21,-7.68,;52.54,-6.9,;52.54,-5.36,;51.2,-4.6,;49.86,-5.36,;48.52,-4.59,;48.53,-3.05,;49.86,-2.28,;51.19,-3.04,;52.53,-2.25,;52.52,-.71,;53.88,-3.03,;55.21,-2.26,;56.55,-3.02,;56.54,-4.57,;57.87,-5.33,;59.2,-4.57,;59.2,-3.02,;57.87,-2.25,;60.54,-5.34,;60.54,-6.88,;61.87,-4.57,;63.21,-5.34,;63.2,-6.88,;64.53,-7.65,;65.87,-6.88,;65.86,-5.33,;64.53,-4.57,;53.88,-4.59,;55.22,-5.35,;51.22,-9.21,;52.57,-9.97,;53.91,-10.73,)| | ||
Structure |