Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM322098'   

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))	BDBM322098 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(3-methoxy-3...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)OC)n1 Show InChI InChI=1S/C18H25ClFN3O2/c1-18(2,24-4)7-8-23-17(10-15(22-23)11-21-3)25-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322098 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(3-methoxy-3...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)OC)n1 Show InChI InChI=1S/C18H25ClFN3O2/c1-18(2,24-4)7-8-23-17(10-15(22-23)11-21-3)25-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair