null

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

InChI Key: InChIKey=OLHYFYRMZTYSBT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342512   

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))	BDBM50342512 (2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...) Show SMILES NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C23H25N9O3/c24-9-10-26-19(33)14-35-16-7-5-15(6-8-16)3-1-11-31-21-17(13-27-31)22-28-20(18-4-2-12-34-18)30-32(22)23(25)29-21/h2,4-8,12-13H,1,3,9-11,14,24H2,(H2,25,29)(H,26,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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 A1 (Homo sapiens (Human))	BDBM50342512 (2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...) Show SMILES NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C23H25N9O3/c24-9-10-26-19(33)14-35-16-7-5-15(6-8-16)3-1-11-31-21-17(13-27-31)22-28-20(18-4-2-12-34-18)30-32(22)23(25)29-21/h2,4-8,12-13H,1,3,9-11,14,24H2,(H2,25,29)(H,26,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+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 [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO 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))	BDBM50342512 (2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...) Show SMILES NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C23H25N9O3/c24-9-10-26-19(33)14-35-16-7-5-15(6-8-16)3-1-11-31-21-17(13-27-31)22-28-20(18-4-2-12-34-18)30-32(22)23(25)29-21/h2,4-8,12-13H,1,3,9-11,14,24H2,(H2,25,29)(H,26,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.97E+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