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TargetCathepsin K
LigandBDBM19847
Substrate/CompetitorBDBM19480
Meas. Tech.In Vitro Enzyme Inhibition Assay and Bone-Resorption Assay
pH5.5±n/a
Temperature295.15±n/a K
IC50 0.5±n/a nM
EC50 38±n/a nM
Citation Robichaud, JBayly, CIBlack, WCDesmarais, SLéger, SMassé, FMcKay, DJOballa, RMPâquet, JPercival, MDTruchon, JFWesolowski, GCrane, SN Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. Bioorg Med Chem Lett17:3146-51 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin K
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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  Blast E-value cutoff:
BDBM19847
BDBM19480
NameBDBM19847
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
TypeSmall organic molecule
Emp. Form.C22H22F2N2OS
Mol. Mass.400.485
SMILESCSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
Structure
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