BDBM50109469 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::CHEMBL351075

SMILES: CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=OWMCDZATZMOWJW-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50109469   

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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.400	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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	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 0.31-0.56				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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	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 8-18				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	46	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 34-62				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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	302	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 237-384				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))	BDBM50109469 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	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