Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50232050'   

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))	BDBM50232050 (CHEMBL4065717) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)nc1 Show InChI InChI=1S/C28H29F3N6O4/c1-3-11-35-25-23(26(39)36(12-4-2)27(35)40)33-24(34-25)18-5-10-21(32-14-18)41-16-17-13-22(38)37(15-17)20-8-6-19(7-9-20)28(29,30)31/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232050 (CHEMBL4065717) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)nc1 Show InChI InChI=1S/C28H29F3N6O4/c1-3-11-35-25-23(26(39)36(12-4-2)27(35)40)33-24(34-25)18-5-10-21(32-14-18)41-16-17-13-22(38)37(15-17)20-8-6-19(7-9-20)28(29,30)31/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair