BDBM21648 (2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-(4-phenylphenyl)-2-(sulfanylmethyl)butanamido]propanoic acid::Mercaptoacyl amino acid compound, 10a
SMILES: C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=CKIOTOMZKGPZHH-VAQLEPBLSA-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)) | BDBM21648 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-(4-phenylpheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | -10.7 | 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) | BDBM21648 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-(4-phenylpheny...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 65 | 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)) | BDBM21648 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-(4-phenylpheny...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 110 | 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 |