Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase 1 | ||
Ligand | BDBM50165472 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_515852 (CHEMBL993111) | ||
IC50 | 19±n/a nM | ||
Citation | Zhang, WT; Ruan, JL; Wu, PF; Jiang, FC; Zhang, LN; Fang, W; Chen, XL; Wang, Y; Cao, BS; Chen, GY; Zhu, YJ; Gu, J; Chen, JG Design, synthesis, and cytoprotective effect of 2-aminothiazole analogues as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem52:718-25 (2009) [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: |
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BDBM50165472 | |||
n/a | |||
Name | BDBM50165472 | ||
Synonyms: | 1-(2-chloro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)pyrrolidine-2,5-dione | 1-[2-Chloro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-pyrrolidine-2,5-dione | CHEMBL195913 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H14ClN3O3 | ||
Mol. Mass. | 367.786 | ||
SMILES | Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1Cl |(18.5,-33.78,;18.16,-32.28,;19.19,-31.13,;18.41,-29.8,;16.9,-30.13,;15.75,-29.11,;16.76,-31.67,;15.43,-32.45,;14.1,-31.69,;12.77,-32.47,;11.44,-31.7,;11.43,-30.16,;12.77,-29.39,;12.76,-27.84,;11.42,-27.07,;11.41,-25.53,;10.09,-27.85,;8.75,-27.09,;7.42,-27.86,;7.42,-29.4,;8.75,-30.17,;10.1,-29.4,;12.77,-34,;14.11,-34.77,;15.44,-33.99,;16.78,-34.76,)| | ||
Structure |