Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50527833'   

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))	BDBM50527833 (CHEMBL4459684) 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(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N5O4/c1-39-21-11-15(3-6-20(21)36)8-9-31-27-23-28(35(13-32-23)24-16-12-17(16)25(37)26(24)38)34-22(33-27)7-4-14-2-5-18(29)19(30)10-14/h2-3,5-6,10-11,13,16-17,24-26,36-38H,8-9,12H2,1H3,(H,31,33,34)/t16-,17+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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)	BDBM50527833 (CHEMBL4459684) 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(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N5O4/c1-39-21-11-15(3-6-20(21)36)8-9-31-27-23-28(35(13-32-23)24-16-12-17(16)25(37)26(24)38)34-22(33-27)7-4-14-2-5-18(29)19(30)10-14/h2-3,5-6,10-11,13,16-17,24-26,36-38H,8-9,12H2,1H3,(H,31,33,34)/t16-,17+,24+,25+,26-/m0/s1	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 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair