BDBM50261131 CHEMBL498775::N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-(trifluoromethoxy)phenyl]-ethyl}ethanamine

SMILES: CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=LCYYZQNDLDWZLI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50261131   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50261131 (CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50261131 (CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity at NET (unknown origin)				J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50261131 (CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity at SERT (unknown origin)				J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261131 (CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor (unknown origin)				J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50261131 (CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity at DAT (unknown origin)				J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1
					More data for this Ligand-Target Pair