BDBM50044867 7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrido[1,2-a]azepine-4-carboxylic acid::CHEMBL309836
SMILES: OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
InChI Key: InChIKey=VOBYAAOXHXIEJG-JDZGAICCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50044867 (7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | 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) | BDBM50044867 (7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >7 | 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 | |||||||||||||
Neprilysin (Rattus norvegicus (Rat)) | BDBM50044867 (7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 45 | 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 | |||||||||||||
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat)) | BDBM50044867 (7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >300 | 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 |