BDBM50077689 (3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine::(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE::CHEMBL31466
SMILES: C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
InChI Key: InChIKey=SBQHXMHGXWOGFR-ZWXJPIIXSA-N
Data: 5 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)) | BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description In vitro inhibitory activity against purified recombinant human renin | Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against purified recombinant human renin | Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against purified recombinant human renin | Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) | 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 | 1.30E+3 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) | 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 | 5 | 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 |