Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50321518'   

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))	BDBM50321518 (CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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				Bioorg Med Chem Lett 21: 1933-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321518 (CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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))	BDBM50321518 (CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)	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	21	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321518 (CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins				Bioorg Med Chem Lett 21: 1933-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD
					More data for this Ligand-Target Pair