BDBM50395477 CHEMBL2163679

SMILES: CCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1

InChI Key: InChIKey=RRXQHNBIUGLMGG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50395477   

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
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50395477 (CHEMBL2163679) Show SMILES CCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1 |(13.24,-55.63,;12.47,-54.3,;10.93,-54.3,;10.16,-52.96,;10.93,-51.64,;8.62,-52.96,;7.85,-51.64,;8.62,-50.3,;7.85,-48.97,;6.31,-48.97,;5.54,-50.3,;6.31,-51.64,;5.54,-52.96,;5.97,-54.44,;7.41,-54.97,;4.69,-55.31,;3.48,-54.36,;4.01,-52.92,;3.15,-51.63,;10.16,-55.63,;8.62,-55.63,;7.85,-56.96,;8.62,-58.3,;10.16,-58.3,;10.93,-56.96,)| Show InChI InChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-13,15,23-24H,2H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay				J Med Chem 55: 6975-9 (2012) Article DOI: 10.1021/jm300700v BindingDB Entry DOI: 10.7270/Q2KD2017
					More data for this Ligand-Target Pair