Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50150085'   

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))	BDBM50150085 (CHEMBL126424 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1 Show InChI InChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150085 (CHEMBL126424 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1 Show InChI InChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair