Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM322078'   

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))	BDBM322078 (US10183913, Example 122 | US11312688, Example 122) Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2C3)n1 Show InChI InChI=1S/C19H24ClN3O2/c1-21-10-16-9-19(24-12-13-3-2-4-15(20)7-13)23(22-16)11-18-14-5-6-17(8-14)25-18/h2-4,7,9,14,17-18,21H,5-6,8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.10	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))	BDBM322078 (US10183913, Example 122 | US11312688, Example 122) Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2C3)n1 Show InChI InChI=1S/C19H24ClN3O2/c1-21-10-16-9-19(24-12-13-3-2-4-15(20)7-13)23(22-16)11-18-14-5-6-17(8-14)25-18/h2-4,7,9,14,17-18,21H,5-6,8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.10	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