Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50296883'   

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))	BDBM50296883 ((1-((1R,4R)-4-((R)-1-(4-chlorophenyl)ethylamino)-2...) Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H44ClN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
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