Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50337905'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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	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
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 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
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