Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50243140'   

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))	BDBM50243140 (3beta-(4-Chlorophenyl)-2beta-[3'-(4-chlorobenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C24H24Cl2N2O/c1-28-20-10-11-22(28)24(21(14-20)16-4-8-18(26)9-5-16)23-13-19(27-29-23)12-15-2-6-17(25)7-3-15/h2-9,13,20-22,24H,10-12,14H2,1H3/t20?,21-,22?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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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