Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50527839'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527839 (CHEMBL4573502) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(5-7-20(21)35)9-10-30-27-23-28(33-22(32-27)8-6-15-3-2-4-17(29)11-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-5,7,11-12,14,18-19,24-26,35-37H,9-10,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	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 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527839 (CHEMBL4573502) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(5-7-20(21)35)9-10-30-27-23-28(33-22(32-27)8-6-15-3-2-4-17(29)11-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-5,7,11-12,14,18-19,24-26,35-37H,9-10,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	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 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair