Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50186977'   

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))	BDBM50186977 (6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
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