| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50314076 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_627425 (CHEMBL1115355) |
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| IC50 | 540±n/a nM |
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| Citation |  Gangjee, A; Zaware, N; Raghavan, S; Ihnat, M; Shenoy, S; Kisliuk, RL Single agents with designed combination chemotherapy potential: synthesis and evaluation of substituted pyrimido[4,5-b]indoles as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents. J Med Chem53:1563-78 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 35718.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 313 |
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| Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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| BDBM50314076 |
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| n/a |
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| Name | BDBM50314076 |
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| Synonyms: | 5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine | CHEMBL1093099 | US9422297, AAG-148-43 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H13N5S |
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| Mol. Mass. | 307.373 |
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| SMILES | Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 |
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| Structure | 
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