| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin K |
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| Ligand | BDBM19847 |
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| Substrate/Competitor | BDBM19480 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| IC50 | 0.32±n/a nM |
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| Citation |  Crane, SN; Black, WC; Palmer, JT; Davis, DE; Setti, E; Robichaud, J; Paquet, J; Oballa, RM; Bayly, CI; McKay, DJ; Somoza, JR; Chauret, N; Seto, C; Scheigetz, J; Wesolowski, G; Massé, F; Desmarais, S; Ouellet, M Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J Med Chem49:1066-79 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Cathepsin K |
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| Name: | Cathepsin K |
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| Synonyms: | CATK_RABIT | CTSK |
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| Type: | Enzyme |
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| Mol. Mass.: | 36879.51 |
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| Organism: | Oryctolagus cuniculus (rabbit) |
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| Description: | n/a |
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| Residue: | 329 |
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| Sequence: | MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSID
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGG
YMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGE
SWGNKGYILMARNKNNACGIANLASFPKM
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| BDBM19847 |
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| BDBM19480 |
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| Name | BDBM19847 |
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| Synonyms: | (1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-[4-(methylsulfanyl)phenyl]phenyl}cyclohexane-1-carboxamide | BMCL173146 Compound (+/-)-1 | BMCL173146 Compound (-)-1 | CHEMBL201782 | Cyclohexanecarboxamide derivative, (-)-34a | Cyclohexanecarboxamide derivative, rac-34 | racemic mixture |
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| Type | Small organic molecule |
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| Emp. Form. | C22H22F2N2OS |
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| Mol. Mass. | 400.485 |
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| SMILES | CSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r| |
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| Structure | 
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