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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 1 | ||
| Ligand | BDBM50165497 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_305621 (CHEMBL829484) | ||
| IC50 | 5±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: |
| ||
| BDBM50165497 | |||
| n/a | |||
| Name | BDBM50165497 | ||
| Synonyms: | 3-[2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-3-aza-bicyclo[3.1.0]hexane-2,4-dione | CHEMBL436298 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H14FN3O3 | ||
| Mol. Mass. | 363.3419 | ||
| SMILES | Oc1c2Cc2c(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |(1.35,.12,;2.5,-.91,;4,-.58,;5.54,-.58,;4.77,-1.92,;3.74,-3.06,;3.97,-4.57,;2.34,-2.43,;1.01,-3.22,;-.32,-2.45,;-1.66,-3.22,;-2.99,-2.45,;-2.99,-.91,;-1.65,-.14,;-1.65,1.4,;-2.99,2.17,;-2.99,3.71,;-4.32,1.4,;-5.65,2.17,;-6.99,1.4,;-6.99,-.14,;-5.65,-.91,;-4.32,-.14,;-1.66,-4.77,;-.33,-5.54,;1.01,-4.77,;2.36,-5.54,)| | ||
| Structure | 
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