BDBM50117216 5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333860

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

InChI Key: InChIKey=ODRIUSPRMZPRHG-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50117216   

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))	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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	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 0.35-0.74				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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
					More data for this Ligand-Target Pair
Adenosine receptor A1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	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
					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 UniProtKB/TrEMBL 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 A3 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	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