Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50024303'   

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))	BDBM50024303 (CHEMBL2112984) Show SMILES [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12| Show InChI InChI=1S/C26H28N4O/c1-2-6-21-15-19(9-10-20(21)5-1)17-29-11-13-30(14-12-29)18-25-23-16-27-24-8-4-3-7-22(24)26(23)28-31-25/h1-10,15,23,25,27H,11-14,16-18H2/t23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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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