Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50275772'   

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))	BDBM50275772 (CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
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