BDBM18321 (2S,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 28
SMILES: CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
InChI Key: InChIKey=OXGHFKXMQVQSOA-CQJMVLFOSA-N
Data: 1 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)) | BDBM18321 ((2S,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Novartis Pharmaceuticals | Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g... | J Med Chem 50: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |