BDBM50169488 (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE::(R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)butan-2-yl(S)-1,2-dioxo-1-(2-oxooxazolidin-3-ylamino)heptan-3-ylcarbamate::CHEMBL365822::[(S)-1-(2-Oxo-oxazolidin-3-ylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-[5-(4-trifluoromethyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-propyl ester
SMILES: CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
InChI Key: InChIKey=IXXKXSFSQVTOKQ-ZWKOTPCHSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Cathepsin K (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc | Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin (B and K) (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc | Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.129 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human cathepsin K | Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin L1 (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc | Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc | Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin V (Homo sapiens (Human)) | BDBM50169488![]() ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc | Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59 | |||||||||||
More data for this Ligand-Target Pair |