Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50209820'   

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))	BDBM50209820 (3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	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 Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209820 (3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair