BDBM50117232 5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122512

SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1

InChI Key: InChIKey=LTQQXOYFDPLYHI-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50117232   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells				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))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	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	71	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
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	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
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	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
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	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	71	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
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117232 (5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)	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	71	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
					More data for this Ligand-Target Pair