BDBM50070181 1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carbonyl)-urea::CHEMBL14022
SMILES: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
InChI Key: InChIKey=XEMCUJCVRDSIHH-YFVAEKQCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis | ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]-spiroperidol from D2 receptor in rat striatum | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL | Assay Description Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum | Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) | 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 | 16 | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP1 production incubated for 30 mins measured by HTRF detection method | ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4 | |||||||||||
More data for this Ligand-Target Pair |