BDBM50145356 1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide::CHEMBL82523
SMILES: NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
InChI Key: InChIKey=JBFPRZFBWYBGPQ-UHFFFAOYSA-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)) | BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd Curated by ChEMBL | Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes | Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd Curated by ChEMBL | Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand | Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd Curated by ChEMBL | Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand | Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand | Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand | Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 | |||||||||||
More data for this Ligand-Target Pair |