Reaction Details |
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Target | Caspase-7 |
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Ligand | BDBM50119221 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_46845 (CHEMBL657312) |
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IC50 | 8240.0±n/a nM |
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Citation | Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Acyl dipeptides as reversible caspase inhibitors. Part 1: initial lead optimization. Bioorg Med Chem Lett12:2969-71 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Caspase-7 |
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Name: | Caspase-7 |
Synonyms: | Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | caspase 7, apoptosis-related cysteine peptidase |
Type: | Enzyme |
Mol. Mass.: | 34273.91 |
Organism: | Homo sapiens (Human) |
Description: | P55210 |
Residue: | 303 |
Sequence: | MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSW
FVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELY
FSQ
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BDBM50119221 |
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n/a |
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Name | BDBM50119221 |
Synonyms: | 2-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide | CHEMBL418983 |
Type | Small organic molecule |
Emp. Form. | C28H38N2O6 |
Mol. Mass. | 498.6111 |
SMILES | CC(C)C[C@H](NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:23:22:25:17.18.19,THB:21:22:17:25.20.19| |
Structure |
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