Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50013052'   

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))	BDBM50013052 (CHEMBL3261695) Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 26: 914-20 (2016) Article DOI: 10.1016/j.bmcl.2015.12.071 BindingDB Entry DOI: 10.7270/Q2VX0JC7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50013052 (CHEMBL3261695) Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis				Bioorg Med Chem Lett 24: 2118-22 (2014) Article DOI: 10.1016/j.bmcl.2014.03.043 BindingDB Entry DOI: 10.7270/Q2G44RV5
					More data for this Ligand-Target Pair