Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM364405'   

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))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting analysis				J Med Chem 57: 1000-13 (2014) Article DOI: 10.1021/jm401754x BindingDB Entry DOI: 10.7270/Q2JM2DMK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to human SERT T497A mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-serotonin uptake after 3 mins...				J Med Chem 57: 1000-13 (2014) Article DOI: 10.1021/jm401754x BindingDB Entry DOI: 10.7270/Q2JM2DMK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM364405 (US10913711, Compound 4b | US11555013, Compound 4b ...) Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to wild type human SERT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-serotonin uptake after 3 mins by...				J Med Chem 57: 1000-13 (2014) Article DOI: 10.1021/jm401754x BindingDB Entry DOI: 10.7270/Q2JM2DMK
					More data for this Ligand-Target Pair