| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50121557 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_673603 (CHEMBL1274780) |
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| IC50 | 9±n/a nM |
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| Citation |  Fleming, FF; Yao, L; Ravikumar, PC; Funk, L; Shook, BC Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore. J Med Chem53:7902-17 (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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| BDBM50121557 |
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| n/a |
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| Name | BDBM50121557 |
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| Synonyms: | CHEMBL151642 | Morpholine-4-carboxylic acid (1-{[(4-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide |
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| Type | Small organic molecule |
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| Emp. Form. | C21H29ClN4O4 |
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| Mol. Mass. | 436.932 |
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| SMILES | CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccc(Cl)cc1)C#N |
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| Structure | 
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