BDBM50125164 1-(2-Amino-4-fluoro-phenyl)-4-(7aR,11aS)-5,6,8,9,11,11a-hexahydro-4H,7aH-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinolin-10-yl-butan-1-one::CHEMBL163904
SMILES: Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
InChI Key: InChIKey=HHUBBKQNDFELCT-IFMALSPDSA-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 2A (Homo sapiens (Human)) | BDBM50125164 (1-(2-Amino-4-fluoro-phenyl)-4-(7aR,11aS)-5,6,8,9,1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand. | Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50125164 (1-(2-Amino-4-fluoro-phenyl)-4-(7aR,11aS)-5,6,8,9,1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity towards DA D2 receptor using [3H]-N-methyl-spiperone as radioligand. | Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50125164 (1-(2-Amino-4-fluoro-phenyl)-4-(7aR,11aS)-5,6,8,9,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2C receptor using [125I]-DOI as radioligand. | Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW | |||||||||||
More data for this Ligand-Target Pair |