| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50313477 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_617378 (CHEMBL1101889) |
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| IC50 | 47±n/a nM |
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| Citation |  Rankovic, Z; Cai, J; Kerr, J; Fradera, X; Robinson, J; Mistry, A; Hamilton, E; McGarry, G; Andrews, F; Caulfield, W; Cumming, I; Dempster, M; Waller, J; Scullion, P; Martin, I; Mitchell, A; Long, C; Baugh, M; Westwood, P; Kinghorn, E; Bruin, J; Hamilton, W; Uitdehaag, J; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg Med Chem Lett20:1524-7 (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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| BDBM50313477 |
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| n/a |
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| Name | BDBM50313477 |
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| Synonyms: | 4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | CHEMBL1084401 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H23F3N4 |
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| Mol. Mass. | 376.4186 |
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| SMILES | CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F |
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| Structure | 
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