Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50188098'   

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))	BDBM50188098 ((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...) Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50188098 ((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...) Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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 reuptake at 5HT transporter in HEK293 cells				Bioorg Med Chem Lett 16: 4349-53 (2006) Article DOI: 10.1016/j.bmcl.2006.05.049 BindingDB Entry DOI: 10.7270/Q2SQ916H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50188098 ((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...) Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 596-9 (2008) BindingDB Entry DOI: 10.7270/Q2DR2WBX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50188098 ((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...) Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
					More data for this Ligand-Target Pair