BDBM50128367 (S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thiophen-2-yl)piperidin-1-yl)propan-2-ol::(S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidin-1-yl]-3-(1H-indol-4-yloxy)-propan-2-ol::CHEMBL56601
SMILES: O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
InChI Key: InChIKey=YXCWXVXALVIDQG-IBGZPJMESA-N
Data: 4 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 (Homo sapiens (Human)) | BDBM50128367 ((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.99 | 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 | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50128367 ((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand | Bioorg Med Chem Lett 13: 1903-5 (2003) BindingDB Entry DOI: 10.7270/Q2PV6JR6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50128367 ((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand | Bioorg Med Chem Lett 13: 1903-5 (2003) BindingDB Entry DOI: 10.7270/Q2PV6JR6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50128367 ((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.31 | 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 |