BDBM50151174 2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL361275

SMILES: Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1

InChI Key: InChIKey=XYTFWOCEJXZMBY-UHFFFAOYSA-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 = 50151174   

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))	BDBM50151174 (2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-11-32-18)30-9-7-29(8-10-30)14-15-12-16-4-1-2-5-17(16)24-13-15/h1-6,11-13H,7-10,14H2,(H2,23,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	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-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50151174 (2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-11-32-18)30-9-7-29(8-10-30)14-15-12-16-4-1-2-5-17(16)24-13-15/h1-6,11-13H,7-10,14H2,(H2,23,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	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 rat cerebral cortex adenosine A1 receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair