null

SMILES: CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=OSENSEKVJGLPRN-MXHNKVEKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50185933   

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))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 adenosine A3 receptor H272E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 adenosine A3 receptor H272D mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 adenosine A3 receptor Q167E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 adenosine A3 receptor T94A mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 wild type adenosine A3 receptor expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185933 (CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...) Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 adenosine A3 receptor T94E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair