BDBM50078429 CHEMBL3414943
SMILES: [H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1
InChI Key: InChIKey=UQOODWFWVKWKPZ-TXWJGDGWSA-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)) | BDBM50078429 (CHEMBL3414943) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.728 | 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)) | BDBM50078429 (CHEMBL3414943) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | 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 (Homo sapiens (Human)) | BDBM50078429 (CHEMBL3414943) | 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 | 164 | 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)) | BDBM50078429 (CHEMBL3414943) | 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 | >3.00E+4 | 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)) | BDBM50078429 (CHEMBL3414943) | 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 | 13 | 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)) | BDBM50078429 (CHEMBL3414943) | 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)) | BDBM50078429 (CHEMBL3414943) | 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 | 721 | 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 |