BDBM50148296 ((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2-phenyl-ethyl ester::(S)-1-phenylpropan-2-yl (S)-1-oxohexan-2-ylcarbamate::CHEMBL114161
SMILES: CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
InChI Key: InChIKey=WNKGMQLRHKONID-ZFWWWQNUSA-N
Data: 7 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pro-cathepsin H (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin H in a fluorescence assay | Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate | Bioorg Med Chem Lett 14: 3425-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.084 BindingDB Entry DOI: 10.7270/Q2SF2VMD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC... | Bioorg Med Chem Lett 14: 3425-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.084 BindingDB Entry DOI: 10.7270/Q2SF2VMD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin B in a fluorescence assay | Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin L in a fluorescence assay | Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay | Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ... | Bioorg Med Chem Lett 14: 3425-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.084 BindingDB Entry DOI: 10.7270/Q2SF2VMD | |||||||||||
More data for this Ligand-Target Pair |