BDBM50209807 3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine::CHEMBL394322
SMILES: CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1
InChI Key: InChIKey=QSUBPHSKNHPROP-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50209807 (3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity at human histamine H3 receptor | Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50209807 (3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity at rat SERT | Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50209807 (3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity at human SERT | Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK | |||||||||||
More data for this Ligand-Target Pair |