BDBM50330360 CHEMBL1276272::N-((2S,4S,5S,7S)-7-(2-(1-acetylpiperidin-4-yl)ethylcarbamoyl)-4-amino-5-hydroxy-2-isopropyl-8-methylnonyl)-2-(4-methoxybutoxy)benzamide
SMILES: COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC1CCN(CC1)C(C)=O)C(C)C
InChI Key: InChIKey=YCTGZMYVONHILF-DNUNIWOASA-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)) | BDBM50330360![]() (CHEMBL1276272 | N-((2S,4S,5S,7S)-7-(2-(1-acetylpip...) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corp Curated by ChEMBL | Assay Description Inhibition of renin in plasma | J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) |