Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50243139'   

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))	BDBM50243139 (3beta-(4-Methylphenyl)-2beta-[3'-(4-fluorobenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(F)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C25H27FN2O/c1-16-3-7-18(8-4-16)22-15-21-11-12-23(28(21)2)25(22)24-14-20(27-29-24)13-17-5-9-19(26)10-6-17/h3-10,14,21-23,25H,11-13,15H2,1-2H3/t21?,22-,23?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	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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