Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50118266'   

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))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	25.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair