BDBM50395123 CHEMBL2163560
SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
InChI Key: InChIKey=YSXGYHSLWDFGDS-IDTAVKCVSA-L
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)) | BDBM50395123 (CHEMBL2163560) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A1AR | J Med Chem 55: 6467-77 (2012) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50395123 (CHEMBL2163560) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A3AR | J Med Chem 55: 6467-77 (2012) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50395123 (CHEMBL2163560) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A2AR | J Med Chem 55: 6467-77 (2012) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50395123 (CHEMBL2163560) | 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 | 72 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins ... | J Med Chem 55: 6467-77 (2012) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50395123 (CHEMBL2163560) | 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 | 21 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Agonist activity at human A1AR assessed as induction of Ca2+ ion mobilization by orthogonal functional assay | J Med Chem 55: 6467-77 (2012) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 | |||||||||||
More data for this Ligand-Target Pair |