Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50130168'   

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))	BDBM50130168 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	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))	BDBM50130168 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes				Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R
					More data for this Ligand-Target Pair