BDBM50118804 1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL138781
SMILES: OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
InChI Key: InChIKey=VIXCVSNTFYSXDO-UHFFFAOYSA-N
Data: 4 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)) | BDBM50118804 (1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.70 | 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 Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor) | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118804 (1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.90 | 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 Binding affinity towards human Adenosine A3 receptor wild type | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118804 (1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.20 | 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 Affinity for human Adenosine A3 receptor expressed in CHO cell | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118804 (1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 99 | 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 Binding affinity towards Adenosine A3 receptor (H95A mutant receptor) | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair |