Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 23 entry = 50012313   

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 A2a (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117239 (CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117216 (5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1 Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair