Reaction Details |
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Target | Cathepsin K |
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Ligand | BDBM19847 |
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Substrate/Competitor | BDBM19480 |
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Meas. Tech. | In Vitro Enzyme Inhibition Assay and Bone-Resorption Assay |
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pH | 5.5±n/a |
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Temperature | 295.15±n/a K |
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IC50 | 0.5±n/a nM |
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EC50 | 38±n/a nM |
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Citation | Robichaud, J; Bayly, CI; Black, WC; Desmarais, S; Léger, S; Massé, F; McKay, DJ; Oballa, RM; Pâquet, J; Percival, MD; Truchon, JF; Wesolowski, G; Crane, SN Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. Bioorg Med Chem Lett17:3146-51 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Cathepsin K |
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Name: | Cathepsin K |
Synonyms: | CATK_RABIT | CTSK |
Type: | Enzyme |
Mol. Mass.: | 36879.51 |
Organism: | Oryctolagus cuniculus (rabbit) |
Description: | n/a |
Residue: | 329 |
Sequence: | MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSID
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGG
YMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGE
SWGNKGYILMARNKNNACGIANLASFPKM
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BDBM19847 |
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BDBM19480 |
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Name | BDBM19847 |
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 |
Type | Small organic molecule |
Emp. Form. | C22H22F2N2OS |
Mol. Mass. | 400.485 |
SMILES | CSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r| |
Structure |
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