BDBM50328905 (3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pyridin-3-yl)piperidine-3-carboxamide::CHEMBL1269743
SMILES: COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1
InChI Key: InChIKey=PGSRKJVMAOWDEC-SXOMAYOGSA-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)) | BDBM50328905 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of renin in plasma | Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Renin (Homo sapiens (Human)) | BDBM50328905 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of renin in buffer | Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |