Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50086150'   

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))	BDBM50086150 (2-(4-Chloro-phenyl)-4-cyclohexylamino-2H-[1,2,4]tr...) Show SMILES Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C21H20ClN5O/c22-14-10-12-16(13-11-14)27-21(28)26-18-9-5-4-8-17(18)24-19(20(26)25-27)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086150 (2-(4-Chloro-phenyl)-4-cyclohexylamino-2H-[1,2,4]tr...) Show SMILES Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C21H20ClN5O/c22-14-10-12-16(13-11-14)27-21(28)26-18-9-5-4-8-17(18)24-19(20(26)25-27)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair