BDBM50163426 CHEMBL177539::N*5*-((R)-1-Benzofuran-2-ylmethyl-pyrrolidin-2-ylmethyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

SMILES: Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1

InChI Key: InChIKey=GAHDLXXONREDFH-OAHLLOKOSA-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 = 50163426   

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))	BDBM50163426 (CHEMBL177539 | N*5*-((R)-1-Benzofuran-2-ylmethyl-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c23-20-26-21(27-22-25-19(28-30(20)22)18-8-4-10-31-18)24-12-15-6-3-9-29(15)13-16-11-14-5-1-2-7-17(14)32-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H3,23,24,25,26,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50163426 (CHEMBL177539 | N*5*-((R)-1-Benzofuran-2-ylmethyl-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c23-20-26-21(27-22-25-19(28-30(20)22)18-8-4-10-31-18)24-12-15-6-3-9-29(15)13-16-11-14-5-1-2-7-17(14)32-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H3,23,24,25,26,27,28)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair