BDBM50311798 4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)phenyl)-N-cyclopropyl-N-(2,3-dichlorobenzyl)-1,2,5,6-tetrahydropyridine-3-carboxamide::CHEMBL1088290
SMILES: Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl
InChI Key: InChIKey=LEPZPTOEMLDSMH-UHFFFAOYSA-N
Data: 3 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)) | BDBM50311798 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) | 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 | 53 | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50311798 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50311798 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) | 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 | 1.20 | 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 |