BDBM50169328 5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzyl]-piperazin-1-yl}-2-(2-methoxy-ethoxy)-benzonitrile::CHEMBL180211

SMILES: COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1

InChI Key: InChIKey=WGSXTQZQLZETNP-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 = 50169328   

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))	BDBM50169328 (5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...) Show SMILES COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-41-26-8-7-24(17-23(26)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-40-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat				Bioorg Med Chem Lett 15: 3670-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.086 BindingDB Entry DOI: 10.7270/Q279446R
					More data for this Ligand-Target Pair