BDBM50217565 (5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2-(4-(methylthio)phenoxy)phenyl)-N-methylmethanamine::CHEMBL398981
SMILES: CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCN(CC1)C(C)C
InChI Key: InChIKey=MKSDMOQTAOJLSE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50217565 ((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL | Assay Description Binding affinity to rat SERT | Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50217565 ((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL | Assay Description Binding affinity to human SERT | Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50217565 ((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL | Assay Description Binding affinity to human histamine H3 receptor | Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF | |||||||||||
More data for this Ligand-Target Pair |