Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50337902'   

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))	BDBM50337902 ((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N,3-t...) Show SMILES CC(C)CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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))	BDBM50337902 ((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N,3-t...) Show SMILES CC(C)CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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