BDBM50165424 (S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate::CHEMBL196896::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (S)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester
SMILES: CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
InChI Key: InChIKey=HYVXUIONWPXUDB-UWWQBHOKSA-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)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L2 (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50165424 ((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin K | Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V | |||||||||||
More data for this Ligand-Target Pair |