BDBM21639 (2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid::Mercaptoacyl amino acid compound, (rac)-13::racemic mixture
SMILES: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12
InChI Key: InChIKey=AXECOZSOSVNVEZ-GRERDSQWSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.80 | -12.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
CNRS | Assay Description NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-Converting Enzyme (Rattus norvegicus) | BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS | Assay Description Specific activity of ACE was assayed in black 96-well microplates with or without various concentrations of inhibitors. N-Cbz-Phe-His-Leu was added, ... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS | Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair |