Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50087031'   

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 (Rattus norvegicus (rat))	BDBM50087031 ((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...) Show SMILES CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@]3(C)O Show InChI InChI=1S/C19H19NO/c1-19(21)13-5-3-4-12-10-15-17-11(8-9-20(15)2)6-7-14(19)18(17)16(12)13/h3-7,15,21H,8-10H2,1-2H3/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from rat SERT				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
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