BDBM50242927 (-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrocholoride::CHEMBL469668
SMILES: CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1
InChI Key: InChIKey=AKRIZMRTOCYSRB-GOSISDBHSA-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 noradrenaline transporter (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT1B receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT1B receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT1D receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT2A receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT7 receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT6 receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT7 receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT1D receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT2A receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT2B receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Activity at 5HT6 receptor (unknown origin) assessed as calcium mobilization by FLIPR | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of norepinephrine uptake at human norepinephrine transporter expressed in MDCK-Net6 cells | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50242927 ((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of 5HT2B receptor (unknown origin) by competition radioligand binding assay | J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB | |||||||||||
More data for this Ligand-Target Pair |