null

SMILES: CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=VRVDHYBVMARMIQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50337905   

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))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	696	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337905 (1-(1-(4-(trifluoromethoxy)phenyl)cyclohexyl)ethana...) Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO/c1-11(19)14(9-3-2-4-10-14)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair