Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50243190'   

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))	BDBM50243190 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methylbenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(C)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C26H30N2O/c1-17-4-8-19(9-5-17)14-21-15-25(29-27-21)26-23(20-10-6-18(2)7-11-20)16-22-12-13-24(26)28(22)3/h4-11,15,22-24,26H,12-14,16H2,1-3H3/t22?,23-,24?,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89.7	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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