Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50285318'   

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))	BDBM50285318 (3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10| Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	47.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Serotonin transporter				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
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