BDBM50199604 4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-1,2,3,4-tetrahydroisoquinoline::CHEMBL397300
SMILES: CN1CC(c2cccc(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
InChI Key: InChIKey=UHXAVJMDFYIMLP-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)) | BDBM50199604 (4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity at human histamine H3 receptor | Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50199604 (4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity at rat SERT | Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50199604 (4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity at human SERT | Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB | |||||||||||
More data for this Ligand-Target Pair |