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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 1 | ||
| Ligand | BDBM259593 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Biochemical Assay | ||
| IC50 | >85000±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: |
| ||
| BDBM259593 | |||
| n/a | |||
| Name | BDBM259593 | ||
| Synonyms: | US9505749, 105 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H24ClN3O3S | ||
| Mol. Mass. | 457.973 | ||
| SMILES | Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(6.67,-5.78,;6.67,-4.23,;5.33,-3.47,;5.33,-1.93,;6.67,-1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.47,;1.33,5,;2.67,5.78,;,5.78,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-8,5.78,;-5.33,5.78,;8,-1.93,;8,-3.47,)| | ||
| Structure | 
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