Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50243191'   

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))	BDBM50243191 (3beta-(4-Chlorophenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C25H27ClN2O2/c1-28-20-9-12-23(28)25(22(15-20)17-5-7-18(26)8-6-17)24-14-19(27-30-24)13-16-3-10-21(29-2)11-4-16/h3-8,10-11,14,20,22-23,25H,9,12-13,15H2,1-2H3/t20?,22-,23?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HTT				Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0
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