BDBM50252119 CHEMBL449015::N-(3-((dimethylamino)methyl)-4-(4-(methylthio)phenylthio)phenyl)methanesulfonamide

SMILES: CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1

InChI Key: InChIKey=WNTGIUMXZUDPIG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50252119   

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-dependent serotonin transporter (Homo sapiens (Human))	BDBM50252119 (CHEMBL449015 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1 Show InChI InChI=1S/C17H22N2O2S3/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)23-16-8-6-15(22-3)7-9-16/h5-11,18H,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4018-21 (2008) Article DOI: 10.1016/j.bmcl.2008.06.001 BindingDB Entry DOI: 10.7270/Q2W37W4X
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50252119 (CHEMBL449015 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1 Show InChI InChI=1S/C17H22N2O2S3/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)23-16-8-6-15(22-3)7-9-16/h5-11,18H,12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4018-21 (2008) Article DOI: 10.1016/j.bmcl.2008.06.001 BindingDB Entry DOI: 10.7270/Q2W37W4X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50252119 (CHEMBL449015 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1 Show InChI InChI=1S/C17H22N2O2S3/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)23-16-8-6-15(22-3)7-9-16/h5-11,18H,12H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4018-21 (2008) Article DOI: 10.1016/j.bmcl.2008.06.001 BindingDB Entry DOI: 10.7270/Q2W37W4X
					More data for this Ligand-Target Pair