BDBM50163406 2-Furan-2-yl-N*5*-((R)-1-quinolin-2-ylmethyl-pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine::CHEMBL177229

SMILES: Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1

InChI Key: InChIKey=KTNLMRCAYVJMLL-QGZVFWFLSA-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 = 50163406   

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))	BDBM50163406 (2-Furan-2-yl-N*5*-((R)-1-quinolin-2-ylmethyl-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H23N9O/c24-21-28-22(29-23-27-20(30-32(21)23)19-8-4-12-33-19)25-13-17-6-3-11-31(17)14-16-10-9-15-5-1-2-7-18(15)26-16/h1-2,4-5,7-10,12,17H,3,6,11,13-14H2,(H3,24,25,27,28,29,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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))	BDBM50163406 (2-Furan-2-yl-N*5*-((R)-1-quinolin-2-ylmethyl-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H23N9O/c24-21-28-22(29-23-27-20(30-32(21)23)19-8-4-12-33-19)25-13-17-6-3-11-31(17)14-16-10-9-15-5-1-2-7-18(15)26-16/h1-2,4-5,7-10,12,17H,3,6,11,13-14H2,(H3,24,25,27,28,29,30)/t17-/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