BDBM50095523 CHEMBL285231::[(S)-2-methyl-1-((S)-2-{(S)-2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester::[2-Methyl-1-(2-{2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
InChI Key: InChIKey=FPGAGACTKJTPFT-MYKRZTLLSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa | J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase | J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cortech, Inc. Curated by ChEMBL | Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate | J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW | |||||||||||
More data for this Ligand-Target Pair |