Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50197465'   

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 (Macaca mulatta)	BDBM50197465 (2-beta-carbomethoxy-3alpha-(4-chlorophenyl)-8-thia...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C15H17ClO2S/c1-18-15(17)14-12(8-11-6-7-13(14)19-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3/t11?,12-,13?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rhesus monkey caudate-putamen				Bioorg Med Chem 15: 1067-82 (2006) Article DOI: 10.1016/j.bmc.2006.10.016 BindingDB Entry DOI: 10.7270/Q2765DZ8
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