BDBM50453788 CHEMBL2113558

SMILES: Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=OQHQDJKKAVBZKY-VWSCUNPCSA-N

Data: 2 KI  2 EC50

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 = 50453788   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453788 (CHEMBL2113558) Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453788 (CHEMBL2113558) Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	935	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453788 (CHEMBL2113558) Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	638	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453788 (CHEMBL2113558) Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Activitty at Adenosine A1 receptor of rat atria				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair