Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50337838'   

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 (Rattus norvegicus (rat))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of 5-HT uptake was performed using synaptosomes isolated in a 0.32M sucrose buffer from a male Wistar rat cortex. The uptake of radiol...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	169	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))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	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))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	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