BDBM50243504 1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrocholoride::CHEMBL518195

SMILES: CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1

InChI Key: InChIKey=UNGFHUJRDWWHSN-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50243504   

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))	BDBM50243504 (1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluorometho...) Show SMILES CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1 Show InChI InChI=1S/C20H29F3N2O2/c1-24-11-13-25(14-12-24)15-18(19(26)9-3-2-4-10-19)16-5-7-17(8-6-16)27-20(21,22)23/h5-8,18,26H,2-4,9-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50243504 (1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluorometho...) Show SMILES CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1 Show InChI InChI=1S/C20H29F3N2O2/c1-24-11-13-25(14-12-24)15-18(19(26)9-3-2-4-10-19)16-5-7-17(8-6-16)27-20(21,22)23/h5-8,18,26H,2-4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of 5HT uptake at human SERT expressed in human JAR cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243504 (1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluorometho...) Show SMILES CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1 Show InChI InChI=1S/C20H29F3N2O2/c1-24-11-13-25(14-12-24)15-18(19(26)9-3-2-4-10-19)16-5-7-17(8-6-16)27-20(21,22)23/h5-8,18,26H,2-4,9-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	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 norepinephrine transporter expressed in MDCK-Net6 cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair