BDBM50385946 CHEMBL2042302
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12
InChI Key: InChIKey=TYSDUJZYVHSLHX-ACIRYHQQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50385946 (CHEMBL2042302) | 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 | 6.07E+3 | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins | J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50385946 (CHEMBL2042302) | 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 | 14 | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins | J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50385946 (CHEMBL2042302) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 756 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation | J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50385946 (CHEMBL2042302) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation | J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35 | |||||||||||
More data for this Ligand-Target Pair |