BDBM50006187 (2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethoxy]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide::5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethoxy]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide::CHEMBL48624
SMILES: CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
InChI Key: InChIKey=NVMVSIUABPBQIL-LSLOANPCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Renin (Homo sapiens (Human)) | BDBM50006187 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro potency against human plasma renin at a pH of 7.4 | J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50006187 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro potency against human plasma renin at a pH of 7.4 | J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50006187 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4 | J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS | |||||||||||
More data for this Ligand-Target Pair |