BDBM50083378 1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-mercapto-methyl}-3-sulfo-propyl-ammonium::CHEMBL148777
SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
InChI Key: InChIKey=YBXYPMVTWBRFAI-SAVGLBRCSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aminopeptidase A (Homo sapiens (Human)) | BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity against recombinant Aminopeptidase A | J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity against NEP from rabbit kidney(neutral endopeptidase) | J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Rattus norvegicus) | BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity against Angiotensin I converting enzyme from rat testis | J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity against aminopeptidase N from pig kidney | J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F | |||||||||||
More data for this Ligand-Target Pair |