Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50455528'   

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))	BDBM50455528 (CHEMBL4208432) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O4/c1-2-15-30-24(32)21-23(29-25(30)33)28-22(27-21)18-10-12-19(13-11-18)34-16-20(31)26-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,26,31)(H,27,28)(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation count...				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50455528 (CHEMBL4208432) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O4/c1-2-15-30-24(32)21-23(29-25(30)33)28-22(27-21)18-10-12-19(13-11-18)34-16-20(31)26-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,26,31)(H,27,28)(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulat...				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair