BDBM50349995 CHEMBL1813041

SMILES: CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2cccc(c2)C(F)(F)F)c1C

InChI Key: InChIKey=LOTZUFQQKLVXKC-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 = 50349995   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50349995 (CHEMBL1813041) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C25H27F3N6O2/c1-16-21(31-17(2)35)7-4-8-22(16)32-23-29-15-30-24(33-23)34-11-9-20(10-12-34)36-14-18-5-3-6-19(13-18)25(26,27)28/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,31,35)(H,29,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair