Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 1419   

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))	BDBM322074 (1-{1-(cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.340	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))	BDBM322125 (1-(5-[(2,5-difluorobenzyl)oxy]-1-{[1-(trifluoro-me...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1 Show InChI InChI=1S/C19H22F5N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	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))	BDBM322090 (US10183913, Example 242 | US11312688, Example 242 ...) Show SMILES CCCCn1nc(CNC)cc1OCc1cc(F)ccc1F Show InChI InChI=1S/C16H21F2N3O/c1-3-4-7-21-16(9-14(20-21)10-19-2)22-11-12-8-13(17)5-6-15(12)18/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	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))	BDBM322118 (US10183913, Example 400) Show SMILES CCC(CC)CCn1nc(CNC)cc1OCc1cc(C)ccc1F Show InChI InChI=1S/C20H30FN3O/c1-5-16(6-2)9-10-24-20(12-18(23-24)13-22-4)25-14-17-11-15(3)7-8-19(17)21/h7-8,11-12,16,22H,5-6,9-10,13-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	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))	BDBM322097 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(3-methylbutyl)-1...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)C)n1 Show InChI InChI=1S/C17H23F2N3O/c1-12(2)6-7-22-17(9-15(21-22)10-20-3)23-11-13-8-14(18)4-5-16(13)19/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	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))	BDBM322122 (1-(2-{5-[(5-Chloro-2-fluorobenzyl)oxy]-3-[(methyla...) Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1)C(=O)OC(C)(C)C Show InChI InChI=1S/C24H33ClFN3O4/c1-23(2,3)33-22(30)28(4)15-19-14-21(32-16-17-13-18(25)7-8-20(17)26)29(27-19)12-11-24(31)9-5-6-10-24/h7-8,13-14,31H,5-6,9-12,15-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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))	BDBM322094 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylprop...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1 Show InChI InChI=1S/C17H23F2N3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	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))	BDBM322096 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbuty...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)C)n1 Show InChI InChI=1S/C18H25F2N3O/c1-18(2,3)7-8-23-17(10-15(22-23)11-21-4)24-12-13-9-14(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	0.690	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))	BDBM322083 (1-{1-(cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	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))	BDBM322079 (US10183913, Example 124 | US11312688, Example 124 ...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCC(F)(F)CC2)n1 Show InChI InChI=1S/C19H23F4N3O/c1-24-10-16-9-18(27-12-14-8-15(20)2-3-17(14)21)26(25-16)11-13-4-6-19(22,23)7-5-13/h2-3,8-9,13,24H,4-7,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	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))	BDBM322132 (1-{5-[(2,5-Difluorobenzyl)oxy]-1-(3-fluoro-3-methy...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1 Show InChI InChI=1S/C17H22F3N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.850	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))	BDBM322103 (1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol...) Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1 Show InChI InChI=1S/C19H27N3O/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.860	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))	BDBM322086 (1-[5-(Benzyloxy)-1-(2-cyclopentylethyl)-1H-pyrazol...) Show SMILES CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.910	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))	BDBM322073 (1-{1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylbenzy...) Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.920	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))	BDBM322106 (1-[5-(Benzyloxy)-1-(1-cyclohexyl-2-fluoroethyl)-1H...) Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(CF)C1CCCCC1 Show InChI InChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.960	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))	BDBM322114 (1-{1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...) Show SMILES CN(Cc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F)C(=O)OC(C)(C)C Show InChI InChI=1S/C24H32F3N3O3/c1-24(2,3)33-23(31)29(4)14-20-21(27)22(30(28-20)13-16-8-6-5-7-9-16)32-15-17-12-18(25)10-11-19(17)26/h10-12,16H,5-9,13-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.980	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))	BDBM322120 (US10183913, Example 426) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC2CC2)n1 Show InChI InChI=1S/C17H20F3N3O/c1-21-9-13-7-17(23(22-13)5-4-11-2-3-11)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,2-5,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	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))	BDBM322100 (N-Methyl-1-{1-(3-methylbutyl)-5-[(2,4,5-trifluorob...) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)C)n1 Show InChI InChI=1S/C17H22F3N3O/c1-11(2)4-5-23-17(7-13(22-23)9-21-3)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,4-5,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322107 (US10183913, Example 331 | US11312688, Example 331 ...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2(C)CCCCC2)n1 Show InChI InChI=1S/C20H29N3O/c1-20(11-7-4-8-12-20)16-23-19(13-18(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,21H,4,7-8,11-12,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	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))	BDBM322077 (US10183913, Example 115 | US11312688, Example 115 ...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CC3CCC2C3)n1 Show InChI InChI=1S/C20H27N3O/c1-21-12-19-11-20(24-14-15-5-3-2-4-6-15)23(22-19)13-18-10-16-7-8-17(18)9-16/h2-6,11,16-18,21H,7-10,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	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))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	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))	BDBM322092 (US10183913, Example 253 | US11312688, Example 253) Show SMILES CCC(CC)n1nc(CNC)cc1OCc1ccc(F)cc1Cl Show InChI InChI=1S/C17H23ClFN3O/c1-4-15(5-2)22-17(9-14(21-22)10-20-3)23-11-12-6-7-13(19)8-16(12)18/h6-9,15,20H,4-5,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	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))	BDBM322093 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2-methylpro...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)C)n1 Show InChI InChI=1S/C16H21ClFN3O/c1-11(2)9-21-16(7-14(20-21)8-19-3)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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))	BDBM322088 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-fluorobenzyl)-...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C19H18F3N3O/c1-23-10-17-9-19(26-12-14-8-16(21)6-7-18(14)22)25(24-17)11-13-2-4-15(20)5-3-13/h2-9,23H,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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))	BDBM322076 (US10183913, Example 108 | US11312688, Example 108 ...) Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1 Show InChI InChI=1S/C19H26FN3O2/c1-14-9-16(20)7-6-15(14)13-25-19-10-17(11-21-2)22-23(19)12-18-5-3-4-8-24-18/h6-7,9-10,18,21H,3-5,8,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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))	BDBM322099 (1-{1-(cyclopentylmethyl)-5-[(2,4,5-trifluorobenzyl...) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H22F3N3O/c1-22-9-14-7-18(24(23-14)10-12-4-2-3-5-12)25-11-13-6-16(20)17(21)8-15(13)19/h6-8,12,22H,2-5,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322084 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopentyl...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H23ClFN3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322082 (1-{1-(cyclopentylmethyl)-5-[(2,4-difluorobenzyl)ox...) Show SMILES CNCc1cc(OCc2ccc(F)cc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-6-7-15(19)8-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322130 ((-)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...) Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322089 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-methylbenzyl)-...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(C)cc2)n1 Show InChI InChI=1S/C20H21F2N3O/c1-14-3-5-15(6-4-14)12-25-20(10-18(24-25)11-23-2)26-13-16-9-17(21)7-8-19(16)22/h3-10,23H,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	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))	BDBM322095 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2,2-dimethy...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)(C)C)n1 Show InChI InChI=1S/C17H23ClFN3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322133 (1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(3-fluoro-3-...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)F)n1 Show InChI InChI=1S/C17H22ClF2N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322074 (1-{1-(cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322133 (1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(3-fluoro-3-...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)F)n1 Show InChI InChI=1S/C17H22ClF2N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	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))	BDBM322112 (1-{1-(Cyclohexylmethyl)-5-[difluoro(phenyl)methoxy...) Show SMILES CN(Cc1cc(OC(F)(F)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C Show InChI InChI=1S/C24H33F2N3O3/c1-23(2,3)32-22(30)28(4)17-20-15-21(29(27-20)16-18-11-7-5-8-12-18)31-24(25,26)19-13-9-6-10-14-19/h6,9-10,13-15,18H,5,7-8,11-12,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322131 ((+)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...) Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322117 (1-{5-[(2-fluorobenzyl)oxy]-1-(3-methylbutyl)-1H-py...) Show SMILES CNCc1cc(OCc2ccccc2F)n(CCC(C)C)n1 Show InChI InChI=1S/C17H24FN3O/c1-13(2)8-9-21-17(10-15(20-21)11-19-3)22-12-14-6-4-5-7-16(14)18/h4-7,10,13,19H,8-9,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	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))	BDBM322105 (2-{5-(Benzyloxy)-3-[(methylamino)methyl]-1H-pyrazo...) Show SMILES CN(Cc1cc(OCc2ccccc2)n(n1)C(CO)C1CCCCC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C25H37N3O4/c1-25(2,3)32-24(30)27(4)16-21-15-23(31-18-19-11-7-5-8-12-19)28(26-21)22(17-29)20-13-9-6-10-14-20/h5,7-8,11-12,15,20,22,29H,6,9-10,13-14,16-18H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322104 (1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenzyl)o...) Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				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
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))	BDBM322126 (1-(5-[(5-chloro-2-fluorobenzyl)oxy]-1-{[1-(trifluo...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1 Show InChI InChI=1S/C19H22ClF4N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322086 (1-[5-(Benzyloxy)-1-(2-cyclopentylethyl)-1H-pyrazol...) Show SMILES CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322091 (US10183913, Example 248 | US11312688, Example 248) Show SMILES CCCCCCCn1nc(CNC)cc1OCc1ccccc1 Show InChI InChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322122 (1-(2-{5-[(5-Chloro-2-fluorobenzyl)oxy]-3-[(methyla...) Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1)C(=O)OC(C)(C)C Show InChI InChI=1S/C24H33ClFN3O4/c1-23(2,3)33-22(30)28(4)15-19-14-21(32-16-17-13-18(25)7-8-20(17)26)29(27-19)12-11-24(31)9-5-6-10-24/h7-8,13-14,31H,5-6,9-12,15-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322121 (US10183913, Example 434 | US11312688, Example 434) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCCC2)OC)n1 Show InChI InChI=1S/C20H27ClFN3O2/c1-23-12-17-11-19(27-13-15-10-16(21)6-7-18(15)22)25(24-17)14-20(26-2)8-4-3-5-9-20/h6-7,10-11,23H,3-5,8-9,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322096 (1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbuty...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)C)n1 Show InChI InChI=1S/C18H25F2N3O/c1-18(2,3)7-8-23-17(10-15(22-23)11-21-4)24-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322084 (1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopentyl...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H23ClFN3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.60	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322083 (1-{1-(cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1 Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	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 A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322070 (1-[1-Benzyl-5-(benzyloxy)-1H-pyrazol-3-yl]-N-methy...) Show SMILES CNCc1cc(OCc2ccccc2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H21N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	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

Displayed 1 to 50 (of 128 total )  |  Next  |  Last  >>

Jump to: