Reaction Details |
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Target | Kallikrein-1 |
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Ligand | BDBM50074920 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_207865 |
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Ki | 7000±n/a nM |
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Citation | Garrett, GS; McPhail, SJ; Tornheim, K; Correa, PE; McIver, JM Synthesis of potent and selective inhibitors of human plasma kallikrein. Bioorg Med Chem Lett9:301-6 (1999) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Kallikrein-1 |
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Name: | Kallikrein-1 |
Synonyms: | KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein |
Type: | Enzyme |
Mol. Mass.: | 28874.69 |
Organism: | Homo sapiens (Human) |
Description: | P06870 |
Residue: | 262 |
Sequence: | MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
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BDBM50074920 |
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n/a |
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Name | BDBM50074920 |
Synonyms: | ((R)-3-Phenyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1-(4-guanidino-benzyl)-2-oxo-propylcarbamoyl]-ethylcarbamoyl}-propyl)-carbamic acid adamantan-1-yl ester |
Type | Small organic molecule |
Emp. Form. | C41H48F3N6O5 |
Mol. Mass. | 761.8517 |
SMILES | NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42| |
Structure |
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