BDBM50069016 1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole::CHEMBL173315
SMILES: CN1CCc2cccc3N(CC(C1)c23)c1ccc(F)cc1
InChI Key: InChIKey=SVMZEPNYJCPPQZ-UHFFFAOYSA-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 |
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Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50069016 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Affinity for 5-hydroxytryptamine 2 receptor | Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50069016 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D1 | Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50069016 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards Alpha-1 adrenergic receptor was evaluated | Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50069016 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D2 | Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z | |||||||||||
More data for this Ligand-Target Pair |