BDBM50330350 (R)-3-((3S,4R,5R)-4-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-5-((4-methoxynaphthalen-2-yl)methoxy)piperidin-3-yloxy)propane-1,2-diol::CHEMBL1276276::Ro-65-7219
SMILES: COc1ccccc1COCCCOc1ccc(cc1)[C@H]1[C@@H](CNC[C@@H]1OCc1cc(OC)c2ccccc2c1)OC[C@H](O)CO
InChI Key: InChIKey=QYBJMSXQFYUZHD-ZLWKXDTISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Renin (Homo sapiens (Human)) | BDBM50330350![]() ((R)-3-((3S,4R,5R)-4-(4-(3-(2-methoxybenzyloxy)prop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corp Curated by ChEMBL | Assay Description Inhibition of human recombinant renin in buffer | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50330350![]() ((R)-3-((3S,4R,5R)-4-(4-(3-(2-methoxybenzyloxy)prop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20 | 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 |