| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosyl-DNA phosphodiesterase 1 |
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| Ligand | BDBM50530467 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1912627 (CHEMBL4415210) |
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| IC50 | 190±n/a nM |
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| Citation |  Kovaleva, K; Oleshko, O; Mamontova, E; Yarovaya, O; Zakharova, O; Zakharenko, A; Kononova, A; Dyrkheeva, N; Cheresiz, S; Pokrovsky, A; Lavrik, O; Salakhutdinov, N Dehydroabietylamine Ureas and Thioureas as Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Enhance the Antitumor Effect of Temozolomide on Glioblastoma Cells. J Nat Prod82:2443-2450 (2019) [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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| BDBM50530467 |
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| n/a |
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| Name | BDBM50530467 |
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| Synonyms: | CHEMBL4467521 |
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| Type | Small organic molecule |
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| Emp. Form. | C48H74N4O2 |
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| Mol. Mass. | 739.1268 |
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| SMILES | [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NCCCCCCNC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C |r| |
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| Structure | 
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