BDBM50158761 1-tert-Butyl-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL175494

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

InChI Key: InChIKey=VSGUJUNKCKRYFS-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 = 50158761   

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))	BDBM50158761 (1-tert-Butyl-3-(2-furan-2-yl-8-phenethyl-8H-pyrazo...) Show SMILES CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H24N8O2/c1-23(2,3)27-22(32)26-21-25-18-16(14-30(28-18)12-11-15-8-5-4-6-9-15)20-24-19(29-31(20)21)17-10-7-13-33-17/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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))	BDBM50158761 (1-tert-Butyl-3-(2-furan-2-yl-8-phenethyl-8H-pyrazo...) Show SMILES CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H24N8O2/c1-23(2,3)27-22(32)26-21-25-18-16(14-30(28-18)12-11-15-8-5-4-6-9-15)20-24-19(29-31(20)21)17-10-7-13-33-17/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	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))	BDBM50158761 (1-tert-Butyl-3-(2-furan-2-yl-8-phenethyl-8H-pyrazo...) Show SMILES CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H24N8O2/c1-23(2,3)27-22(32)26-21-25-18-16(14-30(28-18)12-11-15-8-5-4-6-9-15)20-24-19(29-31(20)21)17-10-7-13-33-17/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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))	BDBM50158761 (1-tert-Butyl-3-(2-furan-2-yl-8-phenethyl-8H-pyrazo...) Show SMILES CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H24N8O2/c1-23(2,3)27-22(32)26-21-25-18-16(14-30(28-18)12-11-15-8-5-4-6-9-15)20-24-19(29-31(20)21)17-10-7-13-33-17/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+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