Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50303312'   

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))	BDBM50303312 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
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