| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50299198 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_592356 (CHEMBL1048482) |
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| IC50 | 1800±n/a nM |
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| Citation |  Ameriks, MK; Cai, H; Edwards, JP; Gebauer, D; Gleason, E; Gu, Y; Karlsson, L; Nguyen, S; Sun, S; Thurmond, RL; Zhu, J Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency. Bioorg Med Chem Lett19:6135-9 (2009) [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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| BDBM50299198 |
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| n/a |
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| Name | BDBM50299198 |
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| Synonyms: | CHEMBL573474 | N-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)benzyl)-1-(3,4-dichlorophenyl)methanamine |
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| Type | Small organic molecule |
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| Emp. Form. | C36H38Cl3N5O3S |
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| Mol. Mass. | 727.143 |
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| SMILES | CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 |
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| Structure | 
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