Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50220529'   

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))	BDBM50220529 (2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 5325-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.017 BindingDB Entry DOI: 10.7270/Q24749K4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50220529 (2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 5325-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.017 BindingDB Entry DOI: 10.7270/Q24749K4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50220529 (2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3				Bioorg Med Chem Lett 17: 5325-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.017 BindingDB Entry DOI: 10.7270/Q24749K4
					More data for this Ligand-Target Pair