null

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12

InChI Key: InChIKey=MHTMWQIPHZOLKO-ULUUBLAKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50454085   

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 A1 (Rattus norvegicus (rat))	BDBM50454085 (CHEMBL2113474) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r| Show InChI InChI=1S/C18H19N5O6/c24-5-11-14(25)15(26)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-12-6-27-9-3-1-2-4-10(9)28-12/h1-4,7-8,11-12,14-15,18,24-26H,5-6H2,(H,19,20,22)/t11-,12?,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454085 (CHEMBL2113474) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r| Show InChI InChI=1S/C18H19N5O6/c24-5-11-14(25)15(26)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-12-6-27-9-3-1-2-4-10(9)28-12/h1-4,7-8,11-12,14-15,18,24-26H,5-6H2,(H,19,20,22)/t11-,12?,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50454085 (CHEMBL2113474) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r| Show InChI InChI=1S/C18H19N5O6/c24-5-11-14(25)15(26)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-12-6-27-9-3-1-2-4-10(9)28-12/h1-4,7-8,11-12,14-15,18,24-26H,5-6H2,(H,19,20,22)/t11-,12?,14-,15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
					More data for this Ligand-Target Pair