BDBM50335728 CHEMBL1650373::N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)acetamide

SMILES: COc1ccccc1-c1cc(NC(C)=O)nc(n1)-c1ccccc1OC

InChI Key: InChIKey=MCWAJYWDGZNNBR-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 = 50335728   

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))	BDBM50335728 (CHEMBL1650373 | N-2,6-bis2-fluorophenyl)pyrimidin-...) Show SMILES COc1ccccc1-c1cc(NC(C)=O)nc(n1)-c1ccccc1OC Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-16(14-8-4-6-10-17(14)25-2)22-20(23-19)15-9-5-7-11-18(15)26-3/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	24	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335728 (CHEMBL1650373 | N-2,6-bis2-fluorophenyl)pyrimidin-...) Show SMILES COc1ccccc1-c1cc(NC(C)=O)nc(n1)-c1ccccc1OC Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-16(14-8-4-6-10-17(14)25-2)22-20(23-19)15-9-5-7-11-18(15)26-3/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	24.1	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