BDBM50038623 2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-propionic acid::CHEMBL55286
SMILES: CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
InChI Key: InChIKey=YBIZKEFULFLDEE-UHFFFAOYSA-N
Data: 4 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)) | BDBM50038623 (2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Tested for inhibitory potency against neutral endopeptidase (NEP) | J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM50038623 (2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Tested for binding affinity against Thermolysin | J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50038623 (2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate | J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50038623 (2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub... | J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK | |||||||||||
More data for this Ligand-Target Pair |