| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosyl-DNA phosphodiesterase 1 |
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| Ligand | BDBM50067508 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1465489 (CHEMBL3404210) |
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| IC50 | 220±n/a nM |
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| Citation |  Zakharenko, A; Khomenko, T; Zhukova, S; Koval, O; Zakharova, O; Anarbaev, R; Lebedeva, N; Korchagina, D; Komarova, N; Vasiliev, V; Reynisson, J; Volcho, K; Salakhutdinov, N; Lavrik, O Synthesis and biological evaluation of novel tyrosyl-DNA phosphodiesterase 1 inhibitors with a benzopentathiepine moiety. Bioorg Med Chem23:2044-52 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Tyrosyl-DNA phosphodiesterase 1 |
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| Name: | Tyrosyl-DNA phosphodiesterase 1 |
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| Synonyms: | TDP1 | TYDP1_HUMAN | Tyrosyl-DNA phosphodiesterase 1 | Tyrosyl-DNA phosphodiesterase 1 (TDP1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 68430.66 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NUW8 |
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| Residue: | 608 |
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| Sequence: | MSQEGDYGRWTISSSDESEEEKPKPDKPSTSSLLCARQGAANEPRYTCSEAQKAAHKRKI
SPVKFSNTDSVLPPKRQKSGSQEDLGWCLSSSDDELQPEMPQKQAEKVVIKKEKDISAPN
DGTAQRTENHGAPACHRLKEEEDEYETSGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNS
GALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHA
QAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSP
LYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPG
RFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESM
LTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKW
SAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELG
VLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDT
HGNMWVPS
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| BDBM50067508 |
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| n/a |
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| Name | BDBM50067508 |
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| Synonyms: | CHEMBL3401896 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H23F3N2OS5 |
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| Mol. Mass. | 488.698 |
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| SMILES | CCCCN(CCCC)CC(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F |
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| Structure | 
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