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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 1 | ||
| Ligand | BDBM259603 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Biochemical Assay | ||
| IC50 | 2500±n/a nM | ||
| Citation |  Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, X Quinazolinone compounds and derivatives thereof US Patent US9505749 Publication Date 11/29/2016 | ||
| 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: |
| ||
| BDBM259603 | |||
| n/a | |||
| Name | BDBM259603 | ||
| Synonyms: | US9505749, 116 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H28N4O3S | ||
| Mol. Mass. | 452.569 | ||
| SMILES | O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:17.18,wD:20.25,(-2,-.77,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-11.34,,;-11.34,1.54,;-10,2.31,;-8.67,1.54,;-7.34,2.31,;-7.34,3.85,;-6,1.54,;-.67,-3.08,;.67,-2.31,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;4.67,,;6,-.77,;6,-2.31,;7.34,-3.08,;8.67,-2.31,;8.67,-.77,;7.34,,;10,-3.08,;11.34,-3.85,)| | ||
| Structure | 
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