BDBM128297 US8796284, 4

SMILES: Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1

InChI Key: InChIKey=CQMIUDXRCZBOOY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 128297   

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))	BDBM128297 (US8796284, 4) Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-11.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair