BDBM50252120 CHEMBL479783::N-(3-((dimethylamino)methyl)-4-(4-(methylthio)phenylthio)phenyl)-N-methylmethanesulfonamide

SMILES: CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1

InChI Key: InChIKey=CCLDYFDEDOTWJF-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 = 50252120   

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))	BDBM50252120 (CHEMBL479783 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O2S3/c1-19(2)13-14-12-15(20(3)25(5,21)22)6-11-18(14)24-17-9-7-16(23-4)8-10-17/h6-12H,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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))	BDBM50252120 (CHEMBL479783 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O2S3/c1-19(2)13-14-12-15(20(3)25(5,21)22)6-11-18(14)24-17-9-7-16(23-4)8-10-17/h6-12H,13H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50252120 (CHEMBL479783 | N-(3-((dimethylamino)methyl)-4-(4-(...) Show SMILES CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O2S3/c1-19(2)13-14-12-15(20(3)25(5,21)22)6-11-18(14)24-17-9-7-16(23-4)8-10-17/h6-12H,13H2,1-5H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+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