Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50001199'   

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))	BDBM50001199 (CHEMBL2112790) Show SMILES C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H25N5O4/c1-14-12-23(13-15(2)22-14)8-3-9-24-20-6-4-16(25(27)28)10-18(20)19-11-17(26(29)30)5-7-21(19)24/h4-7,10-11,14-15,22H,3,8-9,12-13H2,1-2H3/t14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
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