BDBM50335711 CHEMBL1650355::N-2,6-bis4-methoxyphenyl)pyrimidin-4-yl)acetamide

SMILES: COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1

InChI Key: InChIKey=VJDUMBCYXZCSRT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50335711   

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))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cell membranes after 180 mins				J Med Chem 60: 7502-7511 (2017) Article DOI: 10.1021/acs.jmedchem.7b00860 BindingDB Entry DOI: 10.7270/Q2ST7S8S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair