BDBM50069046 4-((7R,9aS)-2-Pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazin-7-ylmethoxy)-benzoic acid methyl ester::CHEMBL165113
SMILES: COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
InChI Key: InChIKey=XAVXJXMGRFXIFC-AEFFLSMTSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50069046 (4-((7R,9aS)-2-Pyrimidin-2-yl-octahydro-pyrido[1,2-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. | Bioorg Med Chem Lett 8: 725-30 (1999) BindingDB Entry DOI: 10.7270/Q29Z941K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50069046 (4-((7R,9aS)-2-Pyrimidin-2-yl-octahydro-pyrido[1,2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. | Bioorg Med Chem Lett 8: 725-30 (1999) BindingDB Entry DOI: 10.7270/Q29Z941K | |||||||||||
More data for this Ligand-Target Pair |