BDBM50169004 2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-ethyl-phenylamine::CHEMBL189367

SMILES: CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1

InChI Key: InChIKey=MUWHGPWUJGZMPM-UHFFFAOYSA-N

Data: 3 KI

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 = 50169004   

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))	BDBM50169004 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-ethyl-p...) Show SMILES CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Show InChI InChI=1S/C17H22N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h5-11H,4,12,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50169004 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-ethyl-p...) Show SMILES CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Show InChI InChI=1S/C17H22N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h5-11H,4,12,18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50169004 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-ethyl-p...) Show SMILES CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Show InChI InChI=1S/C17H22N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h5-11H,4,12,18H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair