Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50135254'   

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 (Rattus norvegicus (rat))	BDBM50135254 ((S)-1-(1H-Indol-4-yloxy)-3-[(1S,3R,5R)-3-(4-methox...) Show SMILES COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15| Show InChI InChI=1S/C27H30N2O3S/c1-31-24-5-3-7-26-22(24)14-27(33-26)17-12-18-8-9-19(13-17)29(18)15-20(30)16-32-25-6-2-4-23-21(25)10-11-28-23/h2-7,10-11,14,17-20,28,30H,8-9,12-13,15-16H2,1H3/t17-,18+,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	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