BDBM50282846 (S)-1-[(S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptomethyl-3-phenyl-propionylamino)-propionyl]-pyrrolidine-2-carboxylic acid::CHEMBL50954
SMILES: OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1
InChI Key: InChIKey=ZSLOSCKFJWHNAC-OIBXWCBGSA-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 (Oryctolagus cuniculus) | BDBM50282846 ((S)-1-[(S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptometh...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate | Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat)) | BDBM50282846 ((S)-1-[(S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptometh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate | Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W | |||||||||||
More data for this Ligand-Target Pair |