BDBM50259340 (1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol::(R,S/S,R)-syn-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol::CHEMBL467323

SMILES: CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1

InChI Key: InChIKey=RZKZTKPGTZKVOQ-SJORKVTESA-N

Data: 4 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 4 hits for monomerid = 50259340   

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))	BDBM50259340 ((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...) Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells				J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50259340 ((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...) Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at human SERT expressed in human JAR cells				Bioorg Med Chem Lett 19: 2464-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.054 BindingDB Entry DOI: 10.7270/Q2T43V1C
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50259340 ((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...) Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells				Bioorg Med Chem Lett 19: 2464-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.054 BindingDB Entry DOI: 10.7270/Q2T43V1C
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50259340 ((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...) Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at human SERT expressed in human JAR cells				J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS
					More data for this Ligand-Target Pair