| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsin-C |
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| Ligand | BDBM50068894 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49619 (CHEMBL660458) |
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| Ki | 364±n/a nM |
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| Citation |  Akahoshi, F; Ashimori, A; Sakashita, H; Yoshimura, T; Eda, M; Imada, T; Nakajima, M; Mitsutomi, N; Kuwahara, S; Ohtsuka, T; Fukaya, C; Miyazaki, M; Nakamura, N Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. J Med Chem44:1297-304 (2001) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsin-C |
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| Name: | Chymotrypsin-C |
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| Synonyms: | CLCR | CTRC | CTRC_HUMAN | Caldecrin | Chymotrypsin | Chymotrypsin C | Chymotrypsin-C |
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| Type: | Enzyme |
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| Mol. Mass.: | 29487.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q99895 |
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| Residue: | 268 |
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| Sequence: | MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCG
GTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRN
DIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPV
VDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSR
RGCNTRKKPVVYTRVSAYIDWINEKMQL
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| BDBM50068894 |
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| n/a |
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| Name | BDBM50068894 |
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| Synonyms: | 3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid | 3-(4-{[1-(2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid | CHEMBL287318 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H40F2N4O8 |
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| Mol. Mass. | 658.6895 |
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| SMILES | CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |
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| Structure | 
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