Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase 1 | ||
Ligand | BDBM50387916 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_830731 (CHEMBL2061718) | ||
Ki | 1.4±n/a nM | ||
Citation | Zhu, GD; Gong, J; Gandhi, VB; Liu, X; Shi, Y; Johnson, EF; Donawho, CK; Ellis, PA; Bouska, JJ; Osterling, DJ; Olson, AM; Park, C; Luo, Y; Shoemaker, A; Giranda, VL; Penning, TD Discovery and SAR of orally efficacious tetrahydropyridopyridazinone PARP inhibitors for the treatment of cancer. Bioorg Med Chem20:4635-45 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase 1 | |||
Name: | Poly [ADP-ribose] polymerase 1 | ||
Synonyms: | (ARTD1 or PARP1) | 2.4.2.- | 2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 1 | ADPRT | ADPRT 1 | ARTD1 | DNA ADP-ribosyltransferase PARP1 | Human diphtheria toxin-like ADP-ribosyltransferase (ARTD1 or PARP1) | NAD(+) ADP-ribosyltransferase 1 | NT-PARP-1 | PARP-1 | PARP1 | PARP1_HUMAN | PPOL | Poly [ADP-ribose] polymerase (PARP) | Poly [ADP-ribose] polymerase 1 (PARP) | Poly [ADP-ribose] polymerase 1 (PARP-1) | Poly [ADP-ribose] polymerase 1 (PARP1) | Poly [ADP-ribose] polymerase 1, 24-kDa form | Poly [ADP-ribose] polymerase 1, 28-kDa form | Poly [ADP-ribose] polymerase 1, 89-kDa form | Poly [ADP-ribose] polymerase 1, processed C-terminus | Poly [ADP-ribose] polymerase 1, processed N-terminus | Poly [ADP-ribose] polymerase-1 | Poly(ADP-ribose) polymerase 1 (PARP1) | Poly(ADP-ribose) polymerase-1 (ARTD1/PARP1) | Poly[ADP-ribose] synthase 1 | Protein poly-ADP-ribosyltransferase PARP1 | Synonyms=ADPRT | ||
Type: | n/a | ||
Mol. Mass.: | 113114.22 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P09874 | ||
Residue: | 1014 | ||
Sequence: |
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BDBM50387916 | |||
n/a | |||
Name | BDBM50387916 | ||
Synonyms: | CHEMBL2058681 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H17FN4O3 | ||
Mol. Mass. | 356.351 | ||
SMILES | Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(12.24,-8.93,;13.39,-9.95,;14.9,-9.63,;15.67,-10.96,;14.64,-12.11,;14.96,-13.61,;13.25,-11.48,;11.91,-12.25,;10.58,-11.49,;9.26,-12.26,;7.93,-11.49,;7.93,-9.95,;9.26,-9.18,;9.25,-7.64,;7.92,-6.88,;7.92,-5.34,;6.6,-7.65,;5.27,-6.87,;3.94,-7.65,;3.94,-9.19,;5.27,-9.95,;6.6,-9.18,;9.25,-13.8,;10.58,-14.57,;11.92,-13.8,;13.25,-14.57,)| | ||
Structure |