BDBM50071970 (R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid benzyl ester::CHEMBL2370171
SMILES: CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)OCc1ccccc1
InChI Key: InChIKey=GXKAALHUNRRFHX-VOFONVMCSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic elastase (Sus scrofa (Pig)) | BDBM50071970 ((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL | Assay Description Compound was tested for inhibition of porcine pancreatic elastase (PPE) | Bioorg Med Chem Lett 8: 2719-24 (1999) BindingDB Entry DOI: 10.7270/Q2V69HRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50071970 ((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL | Assay Description Inhibition of hepatitis C virus (HCV) NS3 protease. | Bioorg Med Chem Lett 8: 2719-24 (1999) BindingDB Entry DOI: 10.7270/Q2V69HRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50071970 ((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL | Assay Description Compound was tested for inhibition of human liver Cathepsin B | Bioorg Med Chem Lett 8: 2719-24 (1999) BindingDB Entry DOI: 10.7270/Q2V69HRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50071970 ((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL | Assay Description Compound was tested for inhibition of human leucocyte elastase (HLE) | Bioorg Med Chem Lett 8: 2719-24 (1999) BindingDB Entry DOI: 10.7270/Q2V69HRX | |||||||||||
More data for this Ligand-Target Pair |