| Reaction Details |
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 | Report a problem with these data |
| Target | Thrombin |
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| Ligand | BDBM50547836 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2019116 (CHEMBL4672694) |
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| IC50 | 20±n/a nM |
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| Citation |  Hillisch, A; Gericke, KM; Allerheiligen, S; Roehrig, S; Schaefer, M; Tersteegen, A; Schulz, S; Lienau, P; Gnoth, M; Puetter, V; Hillig, RC; Heitmeier, S Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J Med Chem63:12574-12594 (2020) [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 |
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| Synonyms: | Thrombin |
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| Type: | PROTEIN |
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| Mol. Mass.: | 27104.73 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | ChEMBL_104556 |
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| Residue: | 235 |
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| Sequence: | QELLCAASLISDRWVLTAAHCLLYPPWDKNFTVNDILVRIGKYARSRYERNMEKISTLEK
IIIHPGYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDKQIVTSLLQAGHKGRVTGWGN
LKEMWTVNMNEVQPSVLQMVNLPLVERPICKASTGIRVTDNMFCAGYKPEEGKRGDACEG
DSGGPFVMKNPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIRKMVDRFG
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| BDBM50547836 |
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| n/a |
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| Name | BDBM50547836 |
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| Synonyms: | CHEMBL4763593 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H27ClFN3O5 |
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| Mol. Mass. | 491.94 |
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| SMILES | COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r| |
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| Structure | 
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