BDBM18333 (2S,4S,5S,7S)-5-amino-N-[(2S)-2-carbamoyl-2-methylethyl]-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 42
SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@H](C)C(N)=O)C(C)C)ccc1OC
InChI Key: InChIKey=NDMWBTBSSUVBCZ-NPJMLQJUSA-N
Data: 1 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM18333 ((2S,4S,5S,7S)-5-amino-N-[(2S)-2-carbamoyl-2-methyl...) | 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) |