BDBM50084628 2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl-propionylamino)-propionic acid benzyl ester(Fasidotrilat)::CHEMBL325055
SMILES: C[C@H](NC(=O)[C@@H](CSC(O)=O)Cc1ccc2OCOc2c1)C(=O)OCc1ccccc1
InChI Key: InChIKey=PMAMHXNBDDBSRQ-WMLDXEAASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat)) | BDBM50084628 (2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory activity against neutral Endopeptidase | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50084628 (2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE) | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |