BDBM50311805 (1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)phenyl)-N-cyclopropyl-N-(3-methoxy-2-methylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide::CHEMBL1076453
SMILES: COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CNC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C
InChI Key: InChIKey=LBNVANDBNOMBKR-SETSBSEESA-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)) | BDBM50311805 ((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay | Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Renin (Homo sapiens (Human)) | BDBM50311805 ((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) | 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 | 1.37 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay | Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |