BDBM50252757 (2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL500569
SMILES: O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
InChI Key: InChIKey=IDVXTFYPPUNLDO-AXAPSJFSSA-N
Data: 7 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)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50252757 ((2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair |