BindingDB PrimarySearch

BDBM50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111

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

InChI Key: InChIKey=MQQDQTRQZFWLNZ-UHFFFAOYSA-N

Data: 5 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50117223
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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	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 0.17-0.20				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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	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 A1 (Homo sapiens (Human))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	398	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; Range 256-620				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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) 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	892	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; Range 811-982				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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+3	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; Range 772-1390				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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) 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	n/a	n/a	1.60E+3	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 binding to human Adenosine A2A receptor expressed in HEK-293 cells				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))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) 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	<0.100	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 HEK293 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 A2a (Homo sapiens (Human))	BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) 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	1.60E+3	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