BDBM50205587 (2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::1-deoxy-1-[6-{4-[(4-bromo-phenylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide::CHEMBL388193
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12
InChI Key: InChIKey=MSANOCNSWDJIJO-IMIIHFCZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 36.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) | NCI pathway 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 | 9.53E+7 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase | J Med Chem 51: 2088-99 (2008) Article DOI: 10.1021/jm701442d BindingDB Entry DOI: 10.7270/Q2R49RNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) | NCI pathway 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 | 10.5 | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production | Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14 | |||||||||||
More data for this Ligand-Target Pair |