BDBM50255848 CHEMBL512367::N-((S)-1-((2S,3S)-2-ethyl-4-oxotetrahydrofuran-3-ylamino)-4,4-dimethyl-1-oxopentan-2-yl)thiophene-3-carboxamide
SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1
InChI Key: InChIKey=DUVDFBHAXHAWFR-AEGPPILISA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50255848 (CHEMBL512367 | N-((S)-1-((2S,3S)-2-ethyl-4-oxotetr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50255848 (CHEMBL512367 | N-((S)-1-((2S,3S)-2-ethyl-4-oxotetr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 318 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50255848 (CHEMBL512367 | N-((S)-1-((2S,3S)-2-ethyl-4-oxotetr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human cathepsin L by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair |