Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50140970'   

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))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptor				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair