BDBM50169271 CHEMBL187787::N-((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indol-7-yl)-acetamide
SMILES: C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
InChI Key: InChIKey=SFFSHOXUMJRJBD-NOZJJQNGSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50169271 (CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd. Curated by ChEMBL | Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand | Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50169271 (CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd. Curated by ChEMBL | Assay Description Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand | Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50169271 (CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd. Curated by ChEMBL | Assay Description Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand | Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87 | |||||||||||
More data for this Ligand-Target Pair |