Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50112270'   

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 (Rattus norvegicus (rat))	BDBM50112270 (Benzoic acid 9-(3-chloro-benzylidene)-7-aza-tricyc...) Show SMILES Clc1cccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)c1 |TLB:15:14:7.8:10.26,THB:12:13:7.8:10.26| Show InChI InChI=1S/C24H24ClNO2/c25-19-8-4-5-16(12-19)11-18-14-26-20-9-10-23(26)22(21(18)13-20)15-28-24(27)17-6-2-1-3-7-17/h1-8,11-12,20-23H,9-10,13-15H2/b18-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
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