BDBM50252634 CHEMBL493056::N-methyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine

SMILES: CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=GJORZJNPTHLFPB-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 = 50252634   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50252634 (CHEMBL493056 | N-methyl(2-(4-(trifluoromethyl)phen...) Show SMILES CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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]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))	BDBM50252634 (CHEMBL493056 | N-methyl(2-(4-(trifluoromethyl)phen...) Show SMILES CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50252634 (CHEMBL493056 | N-methyl(2-(4-(trifluoromethyl)phen...) Show SMILES CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3	PDB KEGG UniProtKB/SwissProt 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]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