Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50088476'   

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))	BDBM50088476 (1-Phenyl-3-(2-pyridin-2-yl-quinazolin-4-yl)-urea |...) Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H15N5O/c26-20(22-14-8-2-1-3-9-14)25-18-15-10-4-5-11-16(15)23-19(24-18)17-12-6-7-13-21-17/h1-13H,(H2,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088476 (1-Phenyl-3-(2-pyridin-2-yl-quinazolin-4-yl)-urea |...) Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H15N5O/c26-20(22-14-8-2-1-3-9-14)25-18-15-10-4-5-11-16(15)23-19(24-18)17-12-6-7-13-21-17/h1-13H,(H2,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.95E+5	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