| Reaction Details |
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 | Report a problem with these data |
| Target | Poly [ADP-ribose] polymerase 1 |
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| Ligand | BDBM50309916 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_612148 |
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| EC50 | 51±n/a nM |
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| Citation |  Gandhi, VB; Luo, Y; Liu, X; Shi, Y; Klinghofer, V; Johnson, EF; Park, C; Giranda, VL; Penning, TD; Zhu, GD Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. Bioorg Med Chem Lett20:1023-6 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Poly [ADP-ribose] polymerase 1 |
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| Name: | Poly [ADP-ribose] polymerase 1 |
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| 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 | PARP-1 | PARP1 | 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 | 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 |
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| Type: | n/a |
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| Mol. Mass.: | 113114.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P09874 |
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| Residue: | 1014 |
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| Sequence: | MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKV
GHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKS
NRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQ
LKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKA
QNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSG
QLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPE
TSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLT
GTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSP
WGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLE
HSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNK
LEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPG
TKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAV
SQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRG
GSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIE
REGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADM
VSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSA
NISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
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| BDBM50309916 |
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| Name | BDBM50309916 |
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| Synonyms: | 3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide | 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide | CHEMBL597890 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H17N3O2 |
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| Mol. Mass. | 259.3037 |
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| SMILES | NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12 |
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| Structure |  |
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| n/a |
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