Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50414600'   

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))	BDBM50414600 (CHEMBL570317) Show SMILES N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H22N4/c22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21/h1-6,11-13,19,23-24H,7-10,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair