Reaction Details |
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Target | Thrombin |
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Ligand | BDBM50432209 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1629275 (CHEMBL3871901) |
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IC50 | 554±n/a nM |
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Citation | Chen, D; Shi, J; Liu, J; Zhang, X; Deng, X; Yang, Y; Cui, S; Zhu, Q; Gong, G; Xu, Y Design, synthesis and antithrombotic evaluation of novel non-peptide thrombin inhibitors. Bioorg Med Chem25:458-470 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Thrombin |
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Name: | Thrombin |
Synonyms: | Thrombin |
Type: | PROTEIN |
Mol. Mass.: | 27104.73 |
Organism: | Oryctolagus cuniculus |
Description: | ChEMBL_104556 |
Residue: | 235 |
Sequence: | QELLCAASLISDRWVLTAAHCLLYPPWDKNFTVNDILVRIGKYARSRYERNMEKISTLEK
IIIHPGYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDKQIVTSLLQAGHKGRVTGWGN
LKEMWTVNMNEVQPSVLQMVNLPLVERPICKASTGIRVTDNMFCAGYKPEEGKRGDACEG
DSGGPFVMKNPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIRKMVDRFG
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BDBM50432209 |
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n/a |
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Name | BDBM50432209 |
Synonyms: | BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILATE | Pradaxa |
Type | Small organic molecule |
Emp. Form. | C34H41N7O5 |
Mol. Mass. | 627.7332 |
SMILES | CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8| |
Structure |
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