Compile Data Set for Download or QSAR

Found 1572 hits with Last Name = 'engel' and Initial = 'sr'   

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))	BDBM50337912 (CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337830 (CHEMBL1683875 | N-((1-(3,4-dichlorophenyl)cyclohex...) Show SMILES CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H23Cl2N/c1-3-19(2)12-16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337829 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...) Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50334781 (CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...) Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337818 (CHEMBL1683876 | N-((1-(3,4-dichlorophenyl)cyclohex...) Show SMILES CCN(CC)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H25Cl2N/c1-3-20(4-2)13-17(10-6-5-7-11-17)14-8-9-15(18)16(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337829 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...) Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337830 (CHEMBL1683875 | N-((1-(3,4-dichlorophenyl)cyclohex...) Show SMILES CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H23Cl2N/c1-3-19(2)12-16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433711 (US10562878, Compound 268 | US10562878, Compound 26...) Show SMILES CNCC1(CCC(F)(F)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H17Cl2F2N/c1-19-9-13(4-6-14(17,18)7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,19H,4-7,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433734 (US10562878, Compound 206 E1 | US10562878, Compound...) Show SMILES CN(C)CC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H19Cl2F2N/c1-20(2)10-14(6-3-7-15(18,19)9-14)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337831 (CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...) Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337831 (CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...) Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337913 ((+/-)-N,N-dimethyl-1-(1-(naphthalen-2-yl)cyclohexy...) Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H27N/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337831 (CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...) Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337915 ((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-3-methy...) Show SMILES CC(C)CC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H25Cl2N/c1-12(2)10-16(20)17(8-4-3-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,3-5,8-10,20H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337844 (1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-4-met...) Show SMILES CN1CCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C18H26Cl2N2/c1-21-9-11-22(12-10-21)14-18(7-3-2-4-8-18)15-5-6-16(19)17(20)13-15/h5-6,13H,2-4,7-12,14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433654 (US10562878, Compound 115) Show SMILES CC1CCCN1CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H25Cl2N/c1-14-6-5-11-21(14)13-18(9-3-2-4-10-18)15-7-8-16(19)17(20)12-15/h7-8,12,14H,2-6,9-11,13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433673 (US10562878, Compound 254 | US10562878, Compound 26...) Show SMILES CN(C)CC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)| Show InChI InChI=1S/C15H20Cl2FN/c1-19(2)10-15(7-5-12(18)6-8-15)11-3-4-13(16)14(17)9-11/h3-4,9,12H,5-8,10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50334773 (CHEMBL1642904 | trans-((2R,4S)-4-(3,4-dichlorophen...) Show SMILES NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM433905 (US10562878, Compound 161 E1 | US10562878, Compound...) Show SMILES CN(C)CC1(CCCCC1O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H22F3NO2/c1-20(2)11-15(10-4-3-5-14(15)21)12-6-8-13(9-7-12)22-16(17,18)19/h6-9,14,21H,3-5,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50149940 (CHEMBL3770651 | US10562878, Compound 203) Show SMILES CN(C)CC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433675 (US10562878, Compound 72) Show SMILES CN(C)CC1(CCC=CC1)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C15H19Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h3-4,6-7,10H,5,8-9,11H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337823 (1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)pyrrol...) Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCC2)CCCCC1 Show InChI InChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM433842 (US10562878, Compound 63 E1 | US10562878, Compound ...) Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H24F3NO/c1-13(21(2)3)16(11-5-4-6-12-16)14-7-9-15(10-8-14)22-17(18,19)20/h7-10,13H,4-6,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337822 (4-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)morpho...) Show SMILES Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1 Show InChI InChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337823 (1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)pyrrol...) Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCC2)CCCCC1 Show InChI InChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337832 (CHEMBL1683873 | N-((1-(3,4-dichlorophenyl)cyclohex...) Show SMILES Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1 Show InChI InChI=1S/C16H21Cl2N/c17-14-7-4-12(10-15(14)18)16(8-2-1-3-9-16)11-19-13-5-6-13/h4,7,10,13,19H,1-3,5-6,8-9,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50334787 (CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...) Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50149940 (CHEMBL3770651 | US10562878, Compound 203) Show SMILES CN(C)CC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337822 (4-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)morpho...) Show SMILES Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1 Show InChI InChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337832 (CHEMBL1683873 | N-((1-(3,4-dichlorophenyl)cyclohex...) Show SMILES Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1 Show InChI InChI=1S/C16H21Cl2N/c17-14-7-4-12(10-15(14)18)16(8-2-1-3-9-16)11-19-13-5-6-13/h4,7,10,13,19H,1-3,5-6,8-9,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM433736 (US10562878, Compound 147 E1 | US10562878, Compound...) Show SMILES CN(C)CC1(CCCCC1O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25NO/c1-20(2)14-19(12-6-5-9-18(19)21)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13,18,21H,5-6,9,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50337910 ((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methy...) Show SMILES CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50337912 (CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM433673 (US10562878, Compound 254 | US10562878, Compound 26...) Show SMILES CN(C)CC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)| Show InChI InChI=1S/C15H20Cl2FN/c1-19(2)10-15(7-5-12(18)6-8-15)11-3-4-13(16)14(17)9-11/h3-4,9,12H,5-8,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM433764 (US10562878, Compound 273 | US10562878, Compound 27...) Show SMILES CNCC1(CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;6.82,-9.09,;8.18,-8.59,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)| Show InChI InChI=1S/C15H21Cl2NO/c1-14(19)5-7-15(8-6-14,10-18-2)11-3-4-12(16)13(17)9-11/h3-4,9,18-19H,5-8,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50337912 (CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of 5-HT uptake was performed using synaptosomes isolated in a 0.32M sucrose buffer from a male Wistar rat cortex. The uptake of radiol...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50337831 (CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...) Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433835 (US10562878, Compound 233 | US10562878, Compound 23...) Show SMILES CN(C)CC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-1.06,-3.93,;-1.17,-2.4,;-2.55,-1.72,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)| Show InChI InChI=1S/C19H24FN/c1-21(2)14-19(11-9-18(20)10-12-19)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18H,9-12,14H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337833 (CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...) Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337833 (CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...) Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433652 (US10562878, Compound 116) Show SMILES OC1CCCC1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H25Cl2NO/c19-14-8-7-13(11-15(14)20)18(9-2-1-3-10-18)12-21-16-5-4-6-17(16)22/h7-8,11,16-17,21-22H,1-6,9-10,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337833 (CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...) Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50149940 (CHEMBL3770651 | US10562878, Compound 203) Show SMILES CN(C)CC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50028094 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50334770 (CHEMBL1642900 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...) Show SMILES CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337833 (CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...) Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant serotonin transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50337912 (CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...) Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433833 (US10562878, Compound 293) Show SMILES CN(C)CC1(CCC=CC1)c1ccc2ccccc2c1 |c:7| Show InChI InChI=1S/C19H23N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h3-6,8-11,14H,7,12-13,15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM433836 (US10562878, Compound 62 E1 | US10562878, Compound ...) Show SMILES CCC(NC)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H23Cl2N/c1-3-15(19-2)16(9-5-4-6-10-16)12-7-8-13(17)14(18)11-12/h7-8,11,15,19H,3-6,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM50337829 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...) Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair

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