Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50189816'   

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))	BDBM50189816 (4-benzamido-2-(4-methoxyphenyl)-6-nitro-1,2-dihydr...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C23H16N6O5/c1-34-16-12-10-15(11-13-16)28-23(31)27-17-8-5-9-18(29(32)33)19(17)24-20(21(27)26-28)25-22(30)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189816 (4-benzamido-2-(4-methoxyphenyl)-6-nitro-1,2-dihydr...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C23H16N6O5/c1-34-16-12-10-15(11-13-16)28-23(31)27-17-8-5-9-18(29(32)33)19(17)24-20(21(27)26-28)25-22(30)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair