BDBM50044866 7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrido[1,2-a]azepine-4-carboxylic acid::CHEMBL78429::MDL-100173
SMILES: OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
InChI Key: InChIKey=RIWRWPXUDHZKIO-WTLQVUHWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat)) | BDBM50044866 (7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined | J Med Chem 36: 2420-3 (1993) BindingDB Entry DOI: 10.7270/Q22N51C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Rattus norvegicus (Rat)) | BDBM50044866 (7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined | J Med Chem 36: 2420-3 (1993) BindingDB Entry DOI: 10.7270/Q22N51C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50044866 (7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined | J Med Chem 36: 2420-3 (1993) BindingDB Entry DOI: 10.7270/Q22N51C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50044866 (7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined | J Med Chem 36: 2420-3 (1993) BindingDB Entry DOI: 10.7270/Q22N51C1 | |||||||||||
More data for this Ligand-Target Pair |