BDBM50182971 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-hydroxyoct-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL208238
SMILES: CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
InChI Key: InChIKey=PWUXIWBJRPNBHD-BNVVKXJLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50182971 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.709 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells | Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50182971 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cells | Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50182971 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 |
University of Virginia Curated by ChEMBL | Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cells | Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ | |||||||||||
More data for this Ligand-Target Pair |