Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50003218'   

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))	BDBM50003218 (CHEMBL412293) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C30H34N4O4/c1-4-15-33-26-18-25(31-27(26)29(36)34(16-5-2)30(33)37)22-10-12-24(13-11-22)38-20(3)28(35)32-17-14-21-8-6-7-9-23(21)19-32/h6-13,18,20,31H,4-5,14-17,19H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
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