BDBM50084673 (S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid::1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-octahydro-indole-2-carboxylic acid(moexipril)::CHEMBL1165::MOEXIPRIL::Uniretic::Univasc
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O
InChI Key: InChIKey=UWWDHYUMIORJTA-HSQYWUDLSA-N
Data: 2 IC50
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 (Homo sapiens (Human)) | BDBM50084673 ((S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 2.60 | 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 | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50084673 ((S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of guinea pig angiotensin I converting enzyme | J Med Chem 29: 1953-61 (1986) BindingDB Entry DOI: 10.7270/Q2PZ59DG | |||||||||||
More data for this Ligand-Target Pair |