Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50527845'   

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))	BDBM50527845 (CHEMBL4483546) 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#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C26H24BrN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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)	BDBM50527845 (CHEMBL4483546) 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#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C26H24BrN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527845 (CHEMBL4483546) 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#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C26H24BrN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	692	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human A3AR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation measure...				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