BDBM89440 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;tosylate::4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium;4-methylbenzenesulfonate::4-(4-chlorophenyl)butyl-diethyl-heptylammonium;4-methylbenzenesulfonate::4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate::CHEMBL9484::Clofilium tosylate::MLS002154263::SMR001233522::cid_175533

SMILES: CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1

InChI Key: InChIKey=WPSYTTKBGAZSCX-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 89440   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG channel expressed in HEK293 cell membrane after 1 hr by scintillation counting analysis				J Med Chem 56: 9427-40 (2013) Article DOI: 10.1021/jm4010434 BindingDB Entry DOI: 10.7270/Q21C20T7
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2862F26
					More data for this Ligand-Target Pair
Protein Wnt-3a (Mus musculus)	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in HEK293 cells after 15 mins by whole-cell patch clamp technique				J Med Chem 56: 9427-40 (2013) Article DOI: 10.1021/jm4010434 BindingDB Entry DOI: 10.7270/Q21C20T7
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG channel expressed in HEK293 cell membrane after 1 hr by scintillation counting analysis				J Med Chem 56: 9427-40 (2013) Article DOI: 10.1021/jm4010434 BindingDB Entry DOI: 10.7270/Q21C20T7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM89440 (4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;to...) Show SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against IKr potassium channel				Bioorg Med Chem Lett 14: 4771-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.070 BindingDB Entry DOI: 10.7270/Q208661K
					More data for this Ligand-Target Pair