Reaction Details |
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Target | Cathepsin K |
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Ligand | BDBM50322923 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_643444 (CHEMBL1212308) |
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IC50 | 1660±n/a nM |
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Citation | Cai, J; Fradera, X; van Zeeland, M; Dempster, M; Cameron, KS; Bennett, DJ; Robinson, J; Popplestone, L; Baugh, M; Westwood, P; Bruin, J; Hamilton, W; Kinghorn, E; Long, C; Uitdehaag, JC 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg Med Chem Lett20:4507-10 (2010) [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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BDBM50322923 |
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n/a |
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Name | BDBM50322923 |
Synonyms: | 6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)picolinonitrile | 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile | CHEMBL1209147 |
Type | Small organic molecule |
Emp. Form. | C21H23F3N4O |
Mol. Mass. | 404.4287 |
SMILES | CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 |
Structure |
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