BDBM50389147 CHEMBL2064655
SMILES: CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1Cl
InChI Key: InChIKey=CYJIIKWKVVDPGM-JIGPFOKVSA-N
Data: 2 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)) | BDBM50389147 (CHEMBL2064655) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting | J Med Chem 55: 4847-60 (2012) Article DOI: 10.1021/jm300396n BindingDB Entry DOI: 10.7270/Q2765GCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Mus musculus) | BDBM50389147 (CHEMBL2064655) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from mouse adenosine A3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting | J Med Chem 55: 4847-60 (2012) Article DOI: 10.1021/jm300396n BindingDB Entry DOI: 10.7270/Q2765GCG | |||||||||||
More data for this Ligand-Target Pair |