Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50058294'   

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))	BDBM50058294 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phe...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C31H33F2NO3/c1-36-31(35)29-27-18-17-26(34(27)19-5-8-21-6-3-2-4-7-21)20-28(29)37-30(22-9-13-24(32)14-10-22)23-11-15-25(33)16-12-23/h2-4,6-7,9-16,26-30H,5,8,17-20H2,1H3/t26?,27?,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen				J Med Chem 40: 1835-44 (1997) Article DOI: 10.1021/jm960868t BindingDB Entry DOI: 10.7270/Q2125RSX
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