Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50217570'   

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))	BDBM50217570 (CHEMBL236675 | N-methyl(5-(4-morpholinobut-1-ynyl)...) Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C#CCCN1CCOCC1 Show InChI InChI=1S/C23H25F3N2O2/c1-27-17-19-16-18(4-2-3-11-28-12-14-29-15-13-28)5-10-22(19)30-21-8-6-20(7-9-21)23(24,25)26/h5-10,16,27H,3,11-15,17H2,1H3	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
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50217570 (CHEMBL236675 | N-methyl(5-(4-morpholinobut-1-ynyl)...) Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C#CCCN1CCOCC1 Show InChI InChI=1S/C23H25F3N2O2/c1-27-17-19-16-18(4-2-3-11-28-12-14-29-15-13-28)5-10-22(19)30-21-8-6-20(7-9-21)23(24,25)26/h5-10,16,27H,3,11-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair