Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50337843'   

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))	BDBM50337843 (CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant serotonin transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337843 (CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	34	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))	BDBM50337843 (CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	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