Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50098576 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_759683 (CHEMBL1811516) |
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IC50 | 8.3±n/a nM |
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Citation | Kerns, JK; Nie, H; Bondinell, W; Widdowson, KL; Yamashita, DS; Rahman, A; Podolin, PL; Carpenter, DC; Jin, Q; Riflade, B; Dong, X; Nevins, N; Keller, PM; Mitchell, L; Tomaszek, T Azepanone-based inhibitors of human cathepsin S: optimization of selectivity via the P2 substituent. Bioorg Med Chem Lett21:4409-15 (2011) [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 |
Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
Type: | Protein |
Mol. Mass.: | 37507.38 |
Organism: | Homo sapiens (Human) |
Description: | P25774 |
Residue: | 331 |
Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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BDBM50098576 |
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n/a |
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Name | BDBM50098576 |
Synonyms: | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | 5-(2-Morpholin-4-yl-ethoxy)-benzofuran-2-carboxylic acid (3-methyl-1-{3-oxo-1-[2-(3-pyridin-2-yl-phenyl)-acetyl]-azepan-4-ylcarbamoyl}-butyl)-amide | CHEMBL284939 |
Type | Small organic molecule |
Emp. Form. | C40H47N5O7 |
Mol. Mass. | 709.8305 |
SMILES | CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1 |
Structure |
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