BDBM50513554 CHEMBL4438487
SMILES: CC(Cc1ccc(cc1)C(C)C)\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChI Key: InChIKey=AIOSZHDLBCMUEO-FXDAFLNFSA-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 A2a (Homo sapiens (Human)) | BDBM50513554 (CHEMBL4438487) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ... | Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50513554 (CHEMBL4438487) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth... | Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50513554 (CHEMBL4438487) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug Curated by ChEMBL | Assay Description Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base... | Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 | |||||||||||
More data for this Ligand-Target Pair |