Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50321540'   

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))	BDBM50321540 (4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12 Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50321540 (4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12 Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)	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	28	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