Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50304637'   

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))	BDBM50304637 (9-(5'-Cyclopropylaminocarbonyl-4'-thio-beta-D-ribo...) Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C20H21IN6O3S/c21-11-3-1-2-10(6-11)7-22-17-13-18(24-8-23-17)27(9-25-13)20-15(29)14(28)16(31-20)19(30)26-12-4-5-12/h1-3,6,8-9,12,14-16,20,28-29H,4-5,7H2,(H,26,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sahmyook University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method				J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50304637 (9-(5'-Cyclopropylaminocarbonyl-4'-thio-beta-D-ribo...) Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C20H21IN6O3S/c21-11-3-1-2-10(6-11)7-22-17-13-18(24-8-23-17)27(9-25-13)20-15(29)14(28)16(31-20)19(30)26-12-4-5-12/h1-3,6,8-9,12,14-16,20,28-29H,4-5,7H2,(H,26,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair