Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50153628'   

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))	BDBM50153628 (4-[3-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:21| Show InChI InChI=1S/C28H28N2O/c1-2-6-21-17-22(10-9-20(21)5-1)23-18-24-11-12-25(19-23)30(24)15-4-16-31-28-8-3-7-27-26(28)13-14-29-27/h1-3,5-10,13-14,17-18,24-25,29H,4,11-12,15-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
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