Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50371295'   

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))	BDBM50371295 (CHEMBL402286) Show SMILES CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of rat SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371295 (CHEMBL402286) Show SMILES CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of human SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair