BDBM50424514 CHEMBL2312110

SMILES: COc1ccc(cc1OC)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=XXUFIKUZGVRKIL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50424514   

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))	BDBM50424514 (CHEMBL2312110) Show SMILES COc1ccc(cc1OC)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-16(14-6-8-17(27-2)19(10-14)29-4)24-22(25-21)15-7-9-18(28-3)20(11-15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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