| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen B |
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| Ligand | BDBM50076819 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49457 (CHEMBL657101) |
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| Ki | 115250±n/a nM |
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| Citation |  Ambler, J; Bentley, D; Brown, L; Dunnet, K; Farr, D; Janus, D; Le Grand, D; Menear, K; Mercer, M; Talbot, M; Tweed, M; Wathey, B The discovery of orally available thrombin inhibitors: optimisation of the P1 pharmacophore. Bioorg Med Chem Lett9:1103-8 (1999) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsinogen B |
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| Name: | Chymotrypsinogen B |
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| Synonyms: | Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB |
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| Type: | PROTEIN |
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| Mol. Mass.: | 27713.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_10909 |
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| Residue: | 263 |
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| Sequence: | MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFC
GGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNND
ITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPL
LSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCST
SSPGVYARVTKLIPWVQKILAAN
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| BDBM50076819 |
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| n/a |
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| Name | BDBM50076819 |
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| Synonyms: | 4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-phenyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide | CHEMBL12506 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H36FN5O4S |
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| Mol. Mass. | 569.691 |
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| SMILES | Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 |
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| Structure | 
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