Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50199602'   

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))	BDBM50199602 ((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...) Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50199602 ((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...) Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair