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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase 1 | ||
| Ligand | BDBM259632 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Biochemical Assay | ||
| IC50 | 3540±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: |
| ||
| BDBM259632 | |||
| n/a | |||
| Name | BDBM259632 | ||
| Synonyms: | US9505749, 145 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H24FN5O3S | ||
| Mol. Mass. | 493.553 | ||
| SMILES | Fc1ccc2nc(SCCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1 |r,wU:13.12,wD:16.19,(-11.1,5.33,;-10.33,4,;-11.1,2.67,;-10.33,1.33,;-8.79,1.33,;-8.02,,;-6.48,,;-5.71,-1.33,;-4.17,-1.33,;-3.4,-2.67,;-1.86,-2.67,;-1.09,-1.33,;-1.09,-4,;.45,-4,;1.22,-2.67,;2.76,-2.67,;3.53,-4,;2.76,-5.33,;1.22,-5.33,;5.07,-4,;5.97,-5.25,;7.44,-4.77,;7.44,-3.23,;5.97,-2.76,;8.53,-2.14,;10.01,-2.54,;11.1,-1.45,;10.7,.04,;9.22,.43,;8.13,-.65,;-5.71,1.33,;-6.48,2.67,;-5.71,4,;-8.02,2.67,;-8.79,4,)| | ||
| Structure | 
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