Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50024318'   

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))	BDBM50024318 (CHEMBL2112976) Show SMILES [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:16| Show InChI InChI=1S/C28H32N4O3/c1-33-25-14-22-24(15-26(25)34-2)29-16-23-27(35-30-28(22)23)18-32-11-9-31(10-12-32)17-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27,29H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
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