Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-1 | ||
Ligand | BDBM50250875 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_1682542 | ||
IC50 | 29±n/a nM | ||
Citation | Anumala, UR; Waaler, J; Nkizinkiko, Y; Ignatev, A; Lazarow, K; Lindemann, P; Olsen, PA; Murthy, S; Obaji, E; Majouga, AG; Leonov, S; von Kries, JP; Lehtiö, L; Krauss, S; Nazaré, M Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J Med Chem60:10013-10025 (2017) [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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BDBM50250875 | |||
n/a | |||
Name | BDBM50250875 | ||
Synonyms: | CHEMBL4095003 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H17ClN8O | ||
Mol. Mass. | 468.898 | ||
SMILES | Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| | ||
Structure |