BindingDB PrimarySearch

BDBM50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705

SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=IOICVMMVGWPRCC-UHFFFAOYSA-N

Data: 8 KI 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50117215
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	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 [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.72-1.24				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
Nutrition Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
Nutrition Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
Nutrition Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Nutrition Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 2443-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.010 BindingDB Entry DOI: 10.7270/Q21C1W9W
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 2443-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.010 BindingDB Entry DOI: 10.7270/Q21C1W9W
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 from human Adenosine A3 receptor expressed in HEK-293 cells at 10000 nM				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
Nutrition Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [3H]-DPCPX binding at human adenosine A1 receptor expressed in CHO cells.				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair