Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase 1 | ||
Ligand | BDBM259525 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay | ||
IC50 | 1140±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: |
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BDBM259525 | |||
n/a | |||
Name | BDBM259525 | ||
Synonyms: | US9505749, 36 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H26ClN5O3 | ||
Mol. Mass. | 491.969 | ||
SMILES | Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)| | ||
Structure |