| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50323086 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_643701 (CHEMBL1212565) |
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| IC50 | 15±n/a nM |
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| Citation |  Cai, J; Bennett, DJ; Rankovic, Z; Dempster, M; Fradera, X; Gillespie, J; Cumming, I; Finlay, W; Baugh, M; Boucharens, S; Bruin, J; Cameron, KS; Hamilton, W; Kerr, J; Kinghorn, E; McGarry, G; Robinson, J; Scullion, P; Uitdehaag, JC; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. Bioorg Med Chem Lett20:4447-50 (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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| BDBM50323086 |
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| n/a |
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| Name | BDBM50323086 |
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| Synonyms: | 4-(4-methoxy-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile | CHEMBL1209449 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14F3N3O |
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| Mol. Mass. | 321.2971 |
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| SMILES | CCCc1cc(nc(n1)C#N)-c1ccc(OC)c(c1)C(F)(F)F |
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| Structure | 
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