BDBM50109474 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::CHEMBL164992

SMILES: COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1

InChI Key: InChIKey=AQNRHHRYYOZUOC-UHFFFAOYSA-N

Data: 9 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 10 hits for monomerid = 50109474   

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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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 HEK cells; range 0.71-0.91				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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 A2a (Homo sapiens (Human))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	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	160	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 HEK-293 cells; range 140-186				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	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	160	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 A2b (Homo sapiens (Human))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	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 A2B receptor expressed in HEK-293 cells; range 213-296				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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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 406-616				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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	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))	BDBM50109474 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80	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 CHO cell membranes expressing human Adenosine A3 receptor; range 5.5-10.9				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair