Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50088463'   

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))	BDBM50088463 (1-(2-Methoxy-phenyl)-3-(2-pyridin-2-yl-quinazolin-...) Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088463 (1-(2-Methoxy-phenyl)-3-(2-pyridin-2-yl-quinazolin-...) Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088463 (1-(2-Methoxy-phenyl)-3-(2-pyridin-2-yl-quinazolin-...) Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair