BDBM50039499 (S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-3-(4-methoxy-benzylsulfanyl)-propionic acid::CHEMBL439768
SMILES: COc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(O)=O)cc1
InChI Key: InChIKey=USBOCZIRMRDNKY-IEBWSBKVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50039499 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against neutral endopeptidase (NEP) | J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50039499 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Tested in vitro for its inhibitory activity against angiotensin converting enzyme | J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20 | |||||||||||
More data for this Ligand-Target Pair |