BDBM17945 (2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(methoxymethoxy)methyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-7,7-dimethyl-9-oxo-2-(propan-2-yl)nonanamide::Renin nonpeptide inhibitor, 5
SMILES: CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C
InChI Key: InChIKey=QQNIINAKKJDPJB-LCXINAFSSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 2.0 | 37 |
Novartis Pharmaceuticals | Assay Description In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w... | Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Novartis Pharmaceuticals | Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi... | Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ | |||||||||||
More data for this Ligand-Target Pair |