Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
Ligand | BDBM50541710 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1985233 (CHEMBL4618639) | ||
IC50 | 27±n/a nM | ||
Citation | Waaler, J; Leenders, RGG; Sowa, ST; Alam Brinch, S; Lycke, M; Nieczypor, P; Aertssen, S; Murthy, S; Galera-Prat, A; Damen, E; Wegert, A; Nazaré, M; Lehtiö, L; Krauss, S Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J Med Chem63:6834-6846 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | |||
Name: | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
Synonyms: | Tankyrase 1/2 | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of ChEMBL is 1985233 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
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: |
| ||
Component 2 | |||
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: |
| ||
BDBM50541710 | |||
n/a | |||
Name | BDBM50541710 | ||
Synonyms: | CHEMBL4640597 | US11926614, Example 181 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H18F4N6O2 | ||
Mol. Mass. | 498.4323 | ||
SMILES | FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(29.13,-19.08,;30.59,-18.6,;30.91,-17.09,;31.73,-19.63,;33.2,-19.15,;34.35,-20.18,;35.81,-19.7,;36.13,-18.2,;34.98,-17.16,;33.52,-17.64,;37.59,-17.73,;38.06,-16.26,;39.6,-16.26,;40.08,-17.73,;41.55,-18.2,;42.24,-19.58,;43.62,-18.88,;42.92,-17.51,;45.08,-19.36,;46.23,-18.33,;45.9,-16.82,;47.69,-18.8,;48.82,-17.77,;50.28,-18.24,;50.62,-19.75,;52.08,-20.22,;49.47,-20.79,;48.01,-20.31,;38.84,-18.63,;38.84,-20.17,;37.5,-20.94,;37.5,-22.48,;38.84,-23.25,;40.18,-22.47,;40.17,-20.93,;41.5,-20.16,)| | ||
Structure |