Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50527842'   

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))	BDBM50527842 (CHEMBL4519265) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21ClFN5O2S/c26-18-6-4-15(35-18)5-7-19-30-24(28-9-8-13-2-1-3-14(27)10-13)20-25(31-19)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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)	BDBM50527842 (CHEMBL4519265) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21ClFN5O2S/c26-18-6-4-15(35-18)5-7-19-30-24(28-9-8-13-2-1-3-14(27)10-13)20-25(31-19)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	488	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