BDBM50109451 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::CHEMBL354161

SMILES: Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=PCXPLFCLERZTBF-UHFFFAOYSA-N

Data: 10 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 11 hits for monomerid = 50109451   

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))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	0.430	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))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.430	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 [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.430	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))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.430	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))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.430	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 A2b (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	180	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 binding at human Adenosine A2B receptor expressed in HEK-293 cells				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	427	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 A2a (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	695	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))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	695	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-58,261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.12E+3	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 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109451 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of IB-MECA agonist-mediated cAMP production in membranes of CHO cells expressing human Adenosine A3 receptor				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair