Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50024310'   

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))	BDBM50024310 (CHEMBL2112972) Show SMILES [H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:2,14| Show InChI InChI=1S/C28H29N3O2/c1-32-24-9-11-25-23(17-24)8-10-26-27(33-29-28(25)26)19-31-14-12-30(13-15-31)18-20-6-7-21-4-2-3-5-22(21)16-20/h2-11,16-17,26-27H,12-15,18-19H2,1H3/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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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