Reaction Details |
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Target | Cathepsin K |
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Ligand | BDBM50390405 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_834955 (CHEMBL2073365) |
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IC50 | 15.85±n/a nM |
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Citation | Dossetter, AG; Bowyer, J; Cook, CR; Crawford, JJ; Finlayson, JE; Heron, NM; Heyes, C; Highton, AJ; Hudson, JA; Jestel, A; Krapp, S; MacFaul, PA; McGuire, TM; Morley, AD; Morris, JJ; Page, KM; Ribeiro, LR; Sawney, H; Steinbacher, S; Smith, C Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition. Bioorg Med Chem Lett22:5563-8 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cathepsin K |
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Name: | Cathepsin K |
Synonyms: | CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X |
Type: | Enzyme |
Mol. Mass.: | 36975.68 |
Organism: | Homo sapiens (Human) |
Description: | P43235 |
Residue: | 329 |
Sequence: | MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
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BDBM50390405 |
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n/a |
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Name | BDBM50390405 |
Synonyms: | CHEMBL2070951 |
Type | Small organic molecule |
Emp. Form. | C22H26N6O2S |
Mol. Mass. | 438.546 |
SMILES | O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| |
Structure |
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