Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50091096'   

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))	BDBM50091096 (5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N Show InChI InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre for Addiction and Mental Health Curated by ChEMBL					Assay Description In vitro binding affinity on cloned Serotonin transporter				J Med Chem 43: 3103-10 (2000) BindingDB Entry DOI: 10.7270/Q2J67G4W
					More data for this Ligand-Target Pair