Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'hahn' and Initial = 'hg'   

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))	BDBM50026734 (CHEMBL3331508) Show SMILES OC(=O)C(F)(F)F.Clc1ccccc1CN(CC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H19ClN2.C2HF3O2/c18-17-9-5-4-6-15(17)13-20(12-14-10-19-11-14)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-9,14,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50397049 (CHEMBL2171417) Show SMILES C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19NO/c1-2-8-19(9-3-1)22-20(18-13-21-14-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,20-21H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026734 (CHEMBL3331508) Show SMILES OC(=O)C(F)(F)F.Clc1ccccc1CN(CC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H19ClN2.C2HF3O2/c18-17-9-5-4-6-15(17)13-20(12-14-10-19-11-14)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-9,14,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026735 (CHEMBL3331468) Show SMILES C(N(C1CNC1)C1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50397050 (CHEMBL2171416) Show SMILES CCCOC(C1CNC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO/c1-2-9-19-17(16-11-18-12-16)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,16-18H,2,9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as inhibition of serotonin reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026730 (CHEMBL3331503) Show SMILES Cl.CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H20Cl2N2.ClH/c1-10(2)18(9-12-6-17-7-12)8-11-3-4-13(15)14(16)5-11;/h3-5,10,12,17H,6-9H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50397049 (CHEMBL2171417) Show SMILES C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19NO/c1-2-8-19(9-3-1)22-20(18-13-21-14-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,20-21H,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as inhibition of serotonin reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026737 (CHEMBL3331485) Show SMILES C(C1CNC1)N(Cc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50397051 (CHEMBL2171415) Show SMILES CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c1-2-5-17-13(10-7-16-8-10)9-3-4-11(14)12(15)6-9/h3-4,6,10,13,16H,2,5,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026727 (CHEMBL3331469) Show SMILES Cl.C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H20N2.ClH/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16;/h1-12,20-21H,13-15H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026741 (CHEMBL3331501) Show SMILES OC(=O)C(F)(F)F.Cc1cccc(CN(CC2CNC2)c2ccccc2)c1 Show InChI InChI=1S/C18H22N2.C2HF3O2/c1-15-6-5-7-16(10-15)13-20(14-17-11-19-12-17)18-8-3-2-4-9-18;3-2(4,5)1(6)7/h2-10,17,19H,11-14H2,1H3;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026729 (CHEMBL3331502) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl Show InChI InChI=1S/C17H18Cl2N2.C2HF3O2/c18-16-8-4-5-14(17(16)19)12-21(11-13-9-20-10-13)15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-8,13,20H,9-12H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50397050 (CHEMBL2171416) Show SMILES CCCOC(C1CNC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO/c1-2-9-19-17(16-11-18-12-16)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,16-18H,2,9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026727 (CHEMBL3331469) Show SMILES Cl.C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H20N2.ClH/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16;/h1-12,20-21H,13-15H2;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048178 (CHEMBL3310489) Show SMILES Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-3-2-4-15(7-12)22-18(8-13-10-21-11-13)14-5-6-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026738 (CHEMBL3331486) Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50397048 (CHEMBL2171418) Show SMILES Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl Show InChI InChI=1S/C20H17Cl2NO/c21-18-8-7-17(10-19(18)22)24-20(16-11-23-12-16)15-6-5-13-3-1-2-4-14(13)9-15/h1-10,16,20,23H,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026729 (CHEMBL3331502) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl Show InChI InChI=1S/C17H18Cl2N2.C2HF3O2/c18-16-8-4-5-14(17(16)19)12-21(11-13-9-20-10-13)15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-8,13,20H,9-12H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026740 (CHEMBL3331500) Show SMILES OC(=O)C(F)(F)F.Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19FN2.C2HF3O2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17;3-2(4,5)1(6)7/h1-9,15,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026732 (CHEMBL3331506) Show SMILES Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1 Show InChI InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026742 (CHEMBL3331505) Show SMILES C(N(Cc1ccc2ccccc2c1)C1CNC1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50397047 (CHEMBL2171419) Show SMILES Fc1cc(ccc1Cl)C(Oc1ccccc1)C1CNC1 Show InChI InChI=1S/C16H15ClFNO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048178 (CHEMBL3310489) Show SMILES Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-3-2-4-15(7-12)22-18(8-13-10-21-11-13)14-5-6-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026736 (CHEMBL3331479) Show SMILES Cc1ccc(cc1)N(Cc1ccc2ccccc2c1)C1CNC1 Show InChI InChI=1S/C21H22N2/c1-16-6-10-20(11-7-16)23(21-13-22-14-21)15-17-8-9-18-4-2-3-5-19(18)12-17/h2-12,21-22H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026741 (CHEMBL3331501) Show SMILES OC(=O)C(F)(F)F.Cc1cccc(CN(CC2CNC2)c2ccccc2)c1 Show InChI InChI=1S/C18H22N2.C2HF3O2/c1-15-6-5-7-16(10-15)13-20(14-17-11-19-12-17)18-8-3-2-4-9-18;3-2(4,5)1(6)7/h2-10,17,19H,11-14H2,1H3;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026738 (CHEMBL3331486) Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026739 (CHEMBL3331498) Show SMILES Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl Show InChI InChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048169 (CHEMBL3310483) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048176 (CHEMBL3310487) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50397051 (CHEMBL2171415) Show SMILES CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c1-2-5-17-13(10-7-16-8-10)9-3-4-11(14)12(15)6-9/h3-4,6,10,13,16H,2,5,7-8H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of dopamine reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048179 (CHEMBL3310490) Show SMILES Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C18H19ClFNO/c1-12-2-5-15(6-3-12)22-18(8-13-10-21-11-13)14-4-7-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048174 (CHEMBL3310486) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-6-1-12(8-16(15)20)17(7-11-9-21-10-11)22-14-4-2-13(19)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048135 (CHEMBL3309701) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-14(13)19)17(7-11-9-21-10-11)22-16-4-2-1-3-15(16)20/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026740 (CHEMBL3331500) Show SMILES OC(=O)C(F)(F)F.Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19FN2.C2HF3O2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17;3-2(4,5)1(6)7/h1-9,15,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048168 (CHEMBL3310478) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50397048 (CHEMBL2171418) Show SMILES Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl Show InChI InChI=1S/C20H17Cl2NO/c21-18-8-7-17(10-19(18)22)24-20(16-11-23-12-16)15-6-5-13-3-1-2-4-14(13)9-15/h1-10,16,20,23H,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as inhibition of serotonin reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50397049 (CHEMBL2171417) Show SMILES C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19NO/c1-2-8-19(9-3-1)22-20(18-13-21-14-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,20-21H,13-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of dopamine reuptake after 30 mins by fluorescence assay				J Med Chem 55: 8188-92 (2012) Article DOI: 10.1021/jm3008294 BindingDB Entry DOI: 10.7270/Q25M66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair

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