Compile Data Set for Download or QSAR

Found 3505 hits with Last Name = 'hewitt' and Initial = 'mc'   

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 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 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 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))	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 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 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))	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))	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 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))	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))	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))	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 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 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 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))	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	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
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 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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD2 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD3 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD3 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRDT BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRDT BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					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))	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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50558065 (CHEMBL4780530) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD2 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay				Citation and Details Article DOI: 10.1021/ml500411h BindingDB Entry DOI: 10.7270/Q2DV1PK7
					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))	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

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