BDBM50014744 3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-2-oxo-butyric acid::CHEMBL335981
SMILES: C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O
InChI Key: InChIKey=ZMIWAKUMMBGJMQ-IMIFBBOLSA-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)) | BDBM50014744 (3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 690 | 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 porcine pancreatic Elastase | J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50014744 (3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.60E+4 | 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 Neutrophil Elastase | J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5 | |||||||||||
More data for this Ligand-Target Pair |