BDBM50056261 (3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-6-carboxylic acid::CHEMBL147526
SMILES: OC(=O)[C@@H]1CCCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
InChI Key: InChIKey=KLCDUNQMSZJEDY-HOTGVXAUSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50056261 ((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM50056261 ((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit thermolysin (TLN) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50056261 ((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 445 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair |