Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50212814'   

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 A2b (Homo sapiens (Human))	BDBM50212814 (9-(4-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-3-8-22(16(23)19-14)10-11-4-6-12(18)7-5-11/h4-7H,3,8-10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human adenosine A2B receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
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