BDBM50342516 2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-N-(2-((2-aminoethyl)amino)ethyl)acetamide::CHEMBL1771808

SMILES: NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1

InChI Key: InChIKey=FVDKKXZJHQXIAF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50342516   

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 A2a (Homo sapiens (Human))	BDBM50342516 (2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...) Show SMILES NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C25H30N10O3/c26-9-10-28-11-12-29-21(36)16-38-18-7-5-17(6-8-18)3-1-13-34-23-19(15-30-34)24-31-22(20-4-2-14-37-20)33-35(24)25(27)32-23/h2,4-8,14-15,28H,1,3,9-13,16,26H2,(H2,27,32)(H,29,36)	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	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 2740-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.082 BindingDB Entry DOI: 10.7270/Q2RV0P0B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50342516 (2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...) Show SMILES NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C25H30N10O3/c26-9-10-28-11-12-29-21(36)16-38-18-7-5-17(6-8-18)3-1-13-34-23-19(15-30-34)24-31-22(20-4-2-14-37-20)33-35(24)25(27)32-23/h2,4-8,14-15,28H,1,3,9-13,16,26H2,(H2,27,32)(H,29,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma scintillation counting				Bioorg Med Chem Lett 21: 2740-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.082 BindingDB Entry DOI: 10.7270/Q2RV0P0B
					More data for this Ligand-Target Pair