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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cathepsin S | ||
| Ligand | BDBM50336504 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_721461 (CHEMBL1675933) | ||
| IC50 | 800±n/a nM | ||
| Citation |  Lin, TI; Lenz, O; Fanning, G; Verbinnen, T; Delouvroy, F; Scholliers, A; Vermeiren, K; Rosenquist, A; Edlund, M; Samuelsson, B; Vrang, L; de Kock, H; Wigerinck, P; Raboisson, P; Simmen, K In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor. Antimicrob Agents Chemother53:1377-85 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cathepsin S | |||
| 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: |
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| BDBM50336504 | |||
| n/a | |||
| Name | BDBM50336504 | ||
| Synonyms: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide | (2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | CHEMBL501849 | N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0'4,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide | US8741926, 47 | US8754106, 47 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H47N5O7S2 | ||
| Mol. Mass. | 749.939 | ||
| SMILES | COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| | ||
| Structure | 
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