Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50321526'   

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))	BDBM50321526 (CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 20: 4140-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321526 (CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production				Bioorg Med Chem Lett 20: 4140-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ
					More data for this Ligand-Target Pair