BDBM50185939 (2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)-3-(aminomethyl)-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide::CHEMBL208475
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
InChI Key: InChIKey=SJEOECKFMZUIFE-UXFYUNLUSA-N
Data: 5 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)) | BDBM50185939 ((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells | J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50185939 ((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 557 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells | J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50185939 ((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 592 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells | J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50185939 ((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cells | J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50185939 ((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor Q167E mutant expressed in COS7 cells | J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M | |||||||||||
More data for this Ligand-Target Pair |