BDBM50315601 1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)-3-phenylurea::CHEMBL1089799

SMILES: CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=RESVNXVNOWGHOF-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50315601   

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 A3 (Homo sapiens (Human))	BDBM50315601 (1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...) Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 18: 2524-36 (2010) Article DOI: 10.1016/j.bmc.2010.02.039 BindingDB Entry DOI: 10.7270/Q2P84C13
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50315601 (1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...) Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane				Bioorg Med Chem 18: 2524-36 (2010) Article DOI: 10.1016/j.bmc.2010.02.039 BindingDB Entry DOI: 10.7270/Q2P84C13
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50315601 (1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...) Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane				Bioorg Med Chem 18: 2524-36 (2010) Article DOI: 10.1016/j.bmc.2010.02.039 BindingDB Entry DOI: 10.7270/Q2P84C13
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50315601 (1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...) Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				Bioorg Med Chem 18: 2524-36 (2010) Article DOI: 10.1016/j.bmc.2010.02.039 BindingDB Entry DOI: 10.7270/Q2P84C13
					More data for this Ligand-Target Pair