BDBM50057378 CHEMBL3322772

SMILES: COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1

InChI Key: InChIKey=QWIKRSBEQWYICN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50057378   

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 5 subunit alpha (Homo sapiens (Human))	BDBM50057378 (CHEMBL3322772) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057378 (CHEMBL3322772) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair