Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase 1 | ||
Ligand | BDBM50387920 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_830732 (CHEMBL2061719) | ||
EC50 | 271±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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BDBM50387920 | |||
n/a | |||
Name | BDBM50387920 | ||
Synonyms: | CHEMBL2058683 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H18FN5O3 | ||
Mol. Mass. | 371.3656 | ||
SMILES | Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(4.55,-21.26,;3.02,-21.1,;2.24,-19.77,;.74,-20.1,;-.41,-19.07,;.59,-21.62,;1.99,-22.25,;2.31,-23.76,;-.74,-22.4,;-2.07,-21.63,;-3.4,-22.4,;-4.73,-21.63,;-4.73,-20.09,;-3.4,-19.33,;-3.4,-17.78,;-4.73,-17.02,;-4.73,-15.48,;-6.05,-17.79,;-7.38,-17.01,;-8.71,-17.79,;-8.71,-19.33,;-7.38,-20.09,;-6.06,-19.32,;-3.41,-23.94,;-2.07,-24.71,;-.74,-23.94,;.6,-24.71,)| | ||
Structure |