BDBM50454087 CHEMBL2112597

SMILES: Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1

InChI Key: InChIKey=BCHSDZWYFZFOEU-PHDIDXHHSA-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 = 50454087   

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))	BDBM50454087 (CHEMBL2112597) Show SMILES Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1 |r| Show InChI InChI=1S/C10H14N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-2-1-3-6(5)17/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.08E+4	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 A2a and A3 (Rattus norvegicus)	BDBM50454087 (CHEMBL2112597) Show SMILES Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1 |r| Show InChI InChI=1S/C10H14N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-2-1-3-6(5)17/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.99E+5	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