BDBM50424515 CHEMBL2311746

SMILES: COc1ccc(OC)c(c1)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)ccc1OC

InChI Key: InChIKey=ZKUMHHBMXWILBS-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 = 50424515   

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))	BDBM50424515 (CHEMBL2311746) Show SMILES COc1ccc(OC)c(c1)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)ccc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-10-14(27-2)6-8-19(16)29-4)24-22(25-21)17-11-15(28-3)7-9-20(17)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	6.30	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