Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase 1 | ||
Ligand | BDBM50165484 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_305621 (CHEMBL829484) | ||
IC50 | 33±n/a nM | ||
Citation | Loh, VM; Cockcroft, XL; Dillon, KJ; Dixon, L; Drzewiecki, J; Eversley, PJ; Gomez, S; Hoare, J; Kerrigan, F; Matthews, IT; Menear, KA; Martin, NM; Newton, RF; Paul, J; Smith, GC; Vile, J; Whittle, AJ Phthalazinones. Part 1: The design and synthesis of a novel series of potent inhibitors of poly(ADP-ribose)polymerase. Bioorg Med Chem Lett15:2235-8 (2005) [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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BDBM50165484 | |||
n/a | |||
Name | BDBM50165484 | ||
Synonyms: | 1-(2-methoxy-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)pyrrolidine-2,5-dione | 1-[2-Methoxy-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-pyrrolidine-2,5-dione | CHEMBL371205 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H17N3O4 | ||
Mol. Mass. | 363.3667 | ||
SMILES | COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-n1c(O)ccc1O |(-3.66,1.78,;-4.47,.48,;-3.75,-.88,;-2.22,-.93,;-1.48,-2.29,;-2.3,-3.61,;-1.58,-4.97,;-.04,-5.02,;.68,-6.38,;2.21,-6.44,;3.03,-5.13,;4.57,-5.19,;2.31,-3.77,;3.13,-2.47,;2.41,-1.1,;.86,-1.05,;.05,-2.35,;.77,-3.71,;-3.85,-3.55,;-4.57,-2.19,;-6.11,-2.13,;-7.06,-3.34,;-6.64,-4.82,;-8.51,-2.81,;-8.45,-1.27,;-6.97,-.85,;-6.44,.6,)| | ||
Structure |