BDBM50527830 CHEMBL4476812
SMILES: [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1
InChI Key: InChIKey=YLLYWESWXSAFKQ-ZIEHKDSXSA-N
Data: 3 KI
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 A3 (Homo sapiens (Human)) | BDBM50527830![]() (CHEMBL4476812) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin... | J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Mus musculus) | BDBM50527830![]() (CHEMBL4476812) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin... | J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50527830![]() (CHEMBL4476812) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 649 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [3H]R-PIA from recombinant human A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth... | J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 | |||||||||||
More data for this Ligand-Target Pair |