| Reaction Details |
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 | Report a problem with these data |
| Target | Poly [ADP-ribose] polymerase 1 |
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| Ligand | BDBM50276114 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_543092 (CHEMBL1010741) |
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| IC50 | 3000±n/a nM |
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| Citation |  Kálai, T; Balog, M; Szabó, A; Gulyás, G; Jeko, J; Sümegi, B; Hideg, K New poly(ADP-ribose) polymerase-1 inhibitors with antioxidant activity based on 4-carboxamidobenzimidazole-2-ylpyrroline and -tetrahydropyridine nitroxides and their precursors. J Med Chem52:1619-29 (2009) [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: | Adprt | PARP1_RAT | Parp1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 112694.89 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_543092 |
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| Residue: | 1014 |
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| Sequence: | MAEATERLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKV
GHSIRQPDTEVDGFSELRWDDQQKVKKTAEAGGVAGKGQHGGGGKAEKTLGDFAAEYAKS
NRSTCKGCMEKIEKGQMRLSKKMLDPEKPQLGMIDRWYHPTCFVKNRDELGFRPEYSASQ
LKGFSLLSAEDKEALKKQLPAVKSEGKRKCDEVDGIDEVAKKKSKKGKDKESSKLEKALK
AQNELVWNIKDELKKACSTNDLKELLIFNQQQVPSGESAILDRVADGMAFGALLPCKECS
GQLVFKSDAYYCTGDVTAWTKCMVKTQNPSRKEWVTPKEFREISYLKKLKIKKQDRLFPP
ESSAPAPPAPPVSITSAPTAVNSSAPADKPLSNMKILTLGKLSQNKDEAKAMIEKLGGKL
TGSANKASLCISTKKEVEKMSKKMEEVKAANVRVVCEDFLQDVSASAKSLQELLSAHSLS
SWGAEVKVEPGEVVVPKGKSAAPSKKSKGAVKEEGVNKSEKRMKLTLKGGAAVDPDSGLE
HSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLESDKESRYWIFRSWGRVGTVIGSNK
LEQMPSKEDAVEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLAVKPG
TKSKLPKPVQELVGMIFDVESMKKALVEYEIDLQKMPLGKLSRRQIQAAYSILSEVQQAV
SQGSSESQILDLSNRFYTLIPHDFGMKKPPLLNNTDSVQAKVEMLDNLLDIEVAYSLLRG
GSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEVIRKYVKNTHATTHNAYDLEVIDIFKIE
REGESQRYKPFRQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADM
VSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTAPDPSA
SITLDGVEVPLGTGIPSGVNDTCLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
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| BDBM50276114 |
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| n/a |
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| Name | BDBM50276114 |
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| Synonyms: | 2-((2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methylthio)-1H-benzo[d]imidazole-4-carboxamide | 2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethylsulfanyl)-1H-benzimidazole-4-carboxylic Acid Amide | CHEMBL511273 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H22N4OS |
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| Mol. Mass. | 330.448 |
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| SMILES | CC1(C)NC(C)(C)C(CSc2nc3cccc(C(N)=O)c3[nH]2)=C1 |c:23| |
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| Structure | 
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