Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50313275'   

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))	BDBM50313275 (CHEMBL1080522 | N-(2-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Cc1[nH]c(cc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1 Show InChI InChI=1S/C24H26Cl2N4O/c1-17-19(16-21(28-17)18-6-3-2-4-7-18)24(31)27-10-11-29-12-14-30(15-13-29)22-9-5-8-20(25)23(22)26/h2-9,16,28H,10-15H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]imipramine from human SERT expressed in HEK293 cells				Bioorg Med Chem 18: 6156-69 (2010) Article DOI: 10.1016/j.bmc.2010.06.037 BindingDB Entry DOI: 10.7270/Q2W0964C
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50313275 (CHEMBL1080522 | N-(2-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Cc1[nH]c(cc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1 Show InChI InChI=1S/C24H26Cl2N4O/c1-17-19(16-21(28-17)18-6-3-2-4-7-18)24(31)27-10-11-29-12-14-30(15-13-29)22-9-5-8-20(25)23(22)26/h2-9,16,28H,10-15H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]imipramine from human SERT expressed in HEK293 cells after 30 mins by rapid filtration assay				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair