Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50135246'   

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))	BDBM50135246 ((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine				Bioorg Med Chem Lett 14: 2653-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.088 BindingDB Entry DOI: 10.7270/Q2GF0SZH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50135246 ((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50135246 ((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes				Bioorg Med Chem Lett 13: 3939-42 (2003) BindingDB Entry DOI: 10.7270/Q24T6HSX
					More data for this Ligand-Target Pair