BDBM50130152 (S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluorobenzo[b]thiophen-2-yl)-2-methylpiperidin-1-yl)propan-2-ol::(S)-1-[(4S,6R)-4-(6-Fluoro-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(1H-indol-4-yloxy)-propan-2-ol::CHEMBL309396
SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
InChI Key: InChIKey=GOYJQBUTBBQPFC-HQRMLTQVSA-N
Data: 5 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)) | BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) | PDB KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes | Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]paroxetine from 5HT reuptake site | Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement. | Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor | Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors. | Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R | |||||||||||
More data for this Ligand-Target Pair |