Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50188048'   

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))	BDBM50188048 ((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50188048 ((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50188048 ((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50188048 ((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4345-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.051 BindingDB Entry DOI: 10.7270/Q2H99608
					More data for this Ligand-Target Pair