Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM322080'   

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))	BDBM322080 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopropyl...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1 Show InChI InChI=1S/C16H19ClFN3O/c1-19-8-14-7-16(21(20-14)9-11-2-3-11)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,2-3,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322080 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopropyl...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1 Show InChI InChI=1S/C16H19ClFN3O/c1-19-8-14-7-16(21(20-14)9-11-2-3-11)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,2-3,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322080 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopropyl...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1 Show InChI InChI=1S/C16H19ClFN3O/c1-19-8-14-7-16(21(20-14)9-11-2-3-11)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,2-3,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	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