Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50188569'   

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))	BDBM50188569 (8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2B receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188569 (8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair