Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50199692'   

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))	BDBM50199692 (CHEMBL3955694) Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H36Cl2N8O5/c1-2-45-34(48)30(41-35(49)42-31-27(36)19-38-20-28(31)37)18-29(43-45)22-5-3-4-21(14-22)23-15-24(17-25(16-23)33(47)40-26-6-7-26)32(46)39-8-9-44-10-12-50-13-11-44/h3-5,14-20,26H,2,6-13H2,1H3,(H,39,46)(H,40,47)(H2,38,41,42,49)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2b receptor (unknown origin)				J Med Chem 59: 10479-10497 (2016) Article DOI: 10.1021/acs.jmedchem.6b00829 BindingDB Entry DOI: 10.7270/Q21G0P75
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