BDBM50150105 CHEMBL124069::[2-(6-Fluoro-chroman-8-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
SMILES: Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
InChI Key: InChIKey=REHCIQBRDJQQIG-UHFFFAOYSA-N
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 (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL | Assay Description Inhibition of serotonin reuptake in SERT (unknown origin) | Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine | J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ISF College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of 5HT transporter (unknown origin) | Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against serotonin transporter | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 26.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand | J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against 5-hydroxytryptamine 1A receptor | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL | Assay Description Binding affinity to 5-HT1A receptor (unknown origin) | Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ISF College of Pharmacy Curated by ChEMBL | Assay Description Agonist activity at 5HT1A receptor (unknown origin) | Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition concentrationagainst binding of radioligand [35]GTPgammaS in CHO cells expressing 5-hydroxytryptamine 1A receptor | J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells | J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition concentration against 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells | J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW | |||||||||||
More data for this Ligand-Target Pair |