BDBM50158776 1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-isopropyl-urea::CHEMBL361412

SMILES: CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=KWDKLUYRGAXYRI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50158776   

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))	BDBM50158776 (1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c1-14(2)23-22(31)26-21-25-18-16(13-29(27-18)11-10-15-7-4-3-5-8-15)20-24-19(28-30(20)21)17-9-6-12-32-17/h3-9,12-14H,10-11H2,1-2H3,(H2,23,25,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50158776 (1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c1-14(2)23-22(31)26-21-25-18-16(13-29(27-18)11-10-15-7-4-3-5-8-15)20-24-19(28-30(20)21)17-9-6-12-32-17/h3-9,12-14H,10-11H2,1-2H3,(H2,23,25,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9	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))	BDBM50158776 (1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c1-14(2)23-22(31)26-21-25-18-16(13-29(27-18)11-10-15-7-4-3-5-8-15)20-24-19(28-30(20)21)17-9-6-12-32-17/h3-9,12-14H,10-11H2,1-2H3,(H2,23,25,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50158776 (1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c1-14(2)23-22(31)26-21-25-18-16(13-29(27-18)11-10-15-7-4-3-5-8-15)20-24-19(28-30(20)21)17-9-6-12-32-17/h3-9,12-14H,10-11H2,1-2H3,(H2,23,25,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91E+3	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