BDBM50014736 (1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidin-1-yl]-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester::CHEMBL337396
SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChI Key: InChIKey=FFGHWNROQYNCDG-AJNGGQMLSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic elastase (Sus scrofa (Pig)) | BDBM50014736 ((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity for porcine Elastase | J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Elastase 1 (Homo sapiens (Human)) | BDBM50014736 ((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity against human Elastase | J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5 | |||||||||||
More data for this Ligand-Target Pair |