BDBM17965 N-[2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperazin-2-yl]methoxy}-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]acetamide::Piperazine-based compound, 15
SMILES: COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2CCCN(CCNC(C)=O)c2c1
InChI Key: InChIKey=IJXSZKKAYGBVFA-WJOKGBTCSA-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)) | BDBM17965 (N-[2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]p...) | 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 | 0.5 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Pfizer | Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine... | Bioorg Med Chem 13: 2657-64 (2005) Article DOI: 10.1016/j.bmc.2005.01.048 BindingDB Entry DOI: 10.7270/Q2KP80D6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |