BDBM50078538 CHEMBL3414946
SMILES: CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12
InChI Key: InChIKey=SLEKQRJDUVSCPY-MOROJQBDSA-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 |
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Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.432 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50078538 (CHEMBL3414946) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Displacement of [3H]NECA from recombinant rat adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting | J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor transfected in CHO cells | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | 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 | 530 | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Agonist activity at human recombinant adenosine A2B receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | 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 | n/a | n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | PDB 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 | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act... | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50078538 (CHEMBL3414946) | 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 | 34 | n/a | n/a | n/a | n/a |
University of Camerino Curated by ChEMBL | Assay Description Antagonist activity at human recombinant adenosine A3 receptor transfected in CHO cells assessed as reversal of NECA-induced inhibition of forskolin-... | J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B | |||||||||||
More data for this Ligand-Target Pair |