| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50320062 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_635108 (CHEMBL1119418) |
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| IC50 | 49.2±n/a nM |
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| Citation |  Chen, JC; Uang, BJ; Lyu, PC; Chang, JY; Liu, KJ; Kuo, CC; Hsieh, HP; Wang, HC; Cheng, CS; Chang, YH; Chang, MD; Chang, WS; Lin, CC Design and synthesis of alpha-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis. J Med Chem53:4545-9 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cathepsin S |
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| Name: | Cathepsin S |
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| Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
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| Type: | Protein |
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| Mol. Mass.: | 37507.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25774 |
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| Residue: | 331 |
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| Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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| BDBM50320062 |
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| n/a |
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| Name | BDBM50320062 |
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| Synonyms: | CHEMBL1085967 | methyl 4-((2S)-1-(1-(benzyloxy)-4-(2-ethoxy-2-oxoethylamino)-3,4-dioxobutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylcarbamoyl)-2-(tert-butoxycarbonylamino)benzoate |
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| Type | Small organic molecule |
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| Emp. Form. | C38H50N4O11 |
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| Mol. Mass. | 738.8238 |
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| SMILES | CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C(=O)OC)c(NC(=O)OC(C)(C)C)c1 |r| |
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| Structure | 
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