BDBM50082416 2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL344706

SMILES: CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=SJZFDIQTLVHZRM-UHFFFAOYSA-N

Data: 16 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 17 hits for monomerid = 50082416   

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 A2a (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	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	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	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	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1.90-3.37				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 7-14				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from Adenosine A2A receptor in rat striatal membranes				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 35-45				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat brain membranes				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human adenosine A3 receptor				Citation and Details Article DOI: 10.1007/s00044-013-0849-0 BindingDB Entry DOI: 10.7270/Q22Z18GV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Padova Curated by ChEMBL					Assay Description Binding affinity for human adenosine A3 receptor				J Med Chem 48: 152-62 (2005) Article DOI: 10.1021/jm049662f BindingDB Entry DOI: 10.7270/Q2183609
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 364-460				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	613	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	613	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	613	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50082416 (2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration as antagonistic activity against cAMP generation inhibited by IB-MECA in CHO cell membranes transfected with human Adenosine...				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair