Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50188547'   

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))	BDBM50188547 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188547 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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