Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50088330'   

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))	BDBM50088330 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9-/t14-,15-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.48E+3	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 reuptake of [3H]5-HT at serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
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