Compile Data Set for Download or QSAR

Found 460 hits with Last Name = 'kim' and Initial = 'km'   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50111766 (CHEMBL3605331) Show SMILES Fc1ccccc1N1CCN(CCCCC(=O)Nc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C23H32N4O8/c1-26(11-13-5-3-2-4-6-13)12-17(35-22-20(31)19(30)16(10-24)34-22)15-9-14(28)21(33-15)27-8-7-18(29)25-23(27)32/h2-8,14-17,19-22,28,30-31H,9-12,24H2,1H3,(H,25,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50111767 (CHEMBL3605344) Show SMILES COc1ccc2nc(NC(=O)CCCCN3CCN(CC3)c3ccc(Cl)cc3)sc2c1 Show InChI InChI=1S/C23H27F3N4O10/c24-23(25,26)40-11-3-1-2-10(6-11)19(35)28-9-15(39-21-18(34)17(33)14(8-27)38-21)13-7-12(31)20(37-13)30-5-4-16(32)29-22(30)36/h1-6,12-15,17-18,20-21,31,33-34H,7-9,27H2,(H,28,35)(H,29,32,36)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50111765 (CHEMBL3605327) Show SMILES Cl.Clc1ccc(N2CCN(CCCCC(=O)Nc3nc4ccccc4s3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H40N6O9/c26-12-17-21(35)22(36)24(39-17)40-18(16-11-15(32)23(38-16)31-6-3-19(33)27-25(31)37)13-28-7-9-29(10-8-28)14-20(34)30-4-1-2-5-30/h3,6,15-18,21-24,32,35-36H,1-2,4-5,7-14,26H2,(H,27,33,37)/t15-,16+,17-,18+,21-,22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50111766 (CHEMBL3605331) Show SMILES Fc1ccccc1N1CCN(CCCCC(=O)Nc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C23H32N4O8/c1-26(11-13-5-3-2-4-6-13)12-17(35-22-20(31)19(30)16(10-24)34-22)15-9-14(28)21(33-15)27-8-7-18(29)25-23(27)32/h2-8,14-17,19-22,28,30-31H,9-12,24H2,1H3,(H,25,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50111767 (CHEMBL3605344) Show SMILES COc1ccc2nc(NC(=O)CCCCN3CCN(CC3)c3ccc(Cl)cc3)sc2c1 Show InChI InChI=1S/C23H27F3N4O10/c24-23(25,26)40-11-3-1-2-10(6-11)19(35)28-9-15(39-21-18(34)17(33)14(8-27)38-21)13-7-12(31)20(37-13)30-5-4-16(32)29-22(30)36/h1-6,12-15,17-18,20-21,31,33-34H,7-9,27H2,(H,28,35)(H,29,32,36)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50500112 (CHEMBL3739820) Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCNc2noc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H26ClN5O/c23-19-8-10-20(11-9-19)28-16-14-27(15-17-28)13-5-4-12-24-22-25-21(29-26-22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50500110 (CHEMBL3740498) Show SMILES Cl.Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50500111 (CHEMBL3740360) Show SMILES Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50500110 (CHEMBL3740498) Show SMILES Cl.Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50111765 (CHEMBL3605327) Show SMILES Cl.Clc1ccc(N2CCN(CCCCC(=O)Nc3nc4ccccc4s3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H40N6O9/c26-12-17-21(35)22(36)24(39-17)40-18(16-11-15(32)23(38-16)31-6-3-19(33)27-25(31)37)13-28-7-9-29(10-8-28)14-20(34)30-4-1-2-5-30/h3,6,15-18,21-24,32,35-36H,1-2,4-5,7-14,26H2,(H,27,33,37)/t15-,16+,17-,18+,21-,22-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 23: 5264-72 (2015) Article DOI: 10.1016/j.bmc.2015.07.072 BindingDB Entry DOI: 10.7270/Q2VM4F1X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50500111 (CHEMBL3740360) Show SMILES Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50500112 (CHEMBL3739820) Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCNc2noc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H26ClN5O/c23-19-8-10-20(11-9-19)28-16-14-27(15-17-28)13-5-4-12-24-22-25-21(29-26-22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting				Bioorg Med Chem 24: 191-200 (2016) Article DOI: 10.1016/j.bmc.2015.12.002 BindingDB Entry DOI: 10.7270/Q2J38WK1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-DA at human DAT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50117973 (CHEMBL3612829) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20F2N4O2S/c1-4-29-18-8-13-16(9-19(18)30-5-2)25-11-26-22(13)28-15-7-6-14(23)20(21(15)24)17-10-31-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-SERT after 15 mins by liquid scintillation ...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50117973 (CHEMBL3612829) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20F2N4O2S/c1-4-29-18-8-13-16(9-19(18)30-5-2)25-11-26-22(13)28-15-7-6-14(23)20(21(15)24)17-10-31-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50535147 (CHEMBL4593696) Show SMILES Fc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C27H29FN6/c28-24-12-14-25(15-13-24)33-20-18-32(19-21-33)16-7-17-34-27(29-30-31-34)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-15,26H,7,16-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by liquid scintillation counting method				Bioorg Med Chem 24: 5546-5555 (2016) Article DOI: 10.1016/j.bmc.2016.09.005 BindingDB Entry DOI: 10.7270/Q2736VF8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50469312 (CHEMBL4277585) Show SMILES C(CN1CCC(CC1)c1ccccc1)Cn1nnnc1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31N5/c1-4-11-23(12-5-1)24-17-21-32(22-18-24)19-10-20-33-28(29-30-31-33)27(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,24,27H,10,17-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at DAT (unknown origin)				Bioorg Med Chem 26: 5538-5546 (2018) Article DOI: 10.1016/j.bmc.2018.09.033 BindingDB Entry DOI: 10.7270/Q2Z89G42
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50235718 (CHEMBL4073939) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33N5/c1-4-11-24(12-5-1)23-25-17-21-33(22-18-25)19-10-20-34-29(30-31-32-34)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,25,28H,10,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50235734 (CHEMBL4083724) Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235734 (CHEMBL4083724) Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50117974 (CHEMBL3612833) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H24N4O2S/c1-14(2)11-29-22-10-19-18(9-21(22)28-4)23(25-13-24-19)27-17-7-5-6-16(8-17)20-12-30-15(3)26-20/h5-10,12-14H,11H2,1-4H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin uptake at SERT (unknown origin)				Bioorg Med Chem 26: 5538-5546 (2018) Article DOI: 10.1016/j.bmc.2018.09.033 BindingDB Entry DOI: 10.7270/Q2Z89G42
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50117974 (CHEMBL3612833) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H24N4O2S/c1-14(2)11-29-22-10-19-18(9-21(22)28-4)23(25-13-24-19)27-17-7-5-6-16(8-17)20-12-30-15(3)26-20/h5-10,12-14H,11H2,1-4H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-SERT after 15 mins by liquid scintillation ...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50117973 (CHEMBL3612829) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20F2N4O2S/c1-4-29-18-8-13-16(9-19(18)30-5-2)25-11-26-22(13)28-15-7-6-14(23)20(21(15)24)17-10-31-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50235734 (CHEMBL4083724) Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50235734 (CHEMBL4083724) Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50235730 (CHEMBL3613151) Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c31-28(27(25-12-6-2-7-13-25)26-14-8-3-9-15-26)29-18-21-30-19-16-24(17-20-30)22-23-10-4-1-5-11-23/h1-15,24,27H,16-22H2,(H,29,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT reuptake in human SERT transfected into HEK293 cells by liquid scintillation counting method				Bioorg Med Chem 24: 2137-45 (2016) Article DOI: 10.1016/j.bmc.2016.03.044 BindingDB Entry DOI: 10.7270/Q27S7QP1
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting method				Bioorg Med Chem 26: 5538-5546 (2018) Article DOI: 10.1016/j.bmc.2018.09.033 BindingDB Entry DOI: 10.7270/Q2Z89G42
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by liquid scintillation counting method				Bioorg Med Chem 24: 5546-5555 (2016) Article DOI: 10.1016/j.bmc.2016.09.005 BindingDB Entry DOI: 10.7270/Q2736VF8
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					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	204	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-SERT after 15 mins by liquid scintillation ...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50462933 (CHEMBL4240379) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C24H28N4O/c1-19-7-10-21(11-8-19)28-17-15-27(16-18-28)14-4-13-25-24(29)23-12-9-20-5-2-3-6-22(20)26-23/h2-3,5-12H,4,13-18H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50462927 (CHEMBL4250965) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C24H28N4O2/c1-30-21-10-8-20(9-11-21)28-17-15-27(16-18-28)14-4-13-25-24(29)23-12-7-19-5-2-3-6-22(19)26-23/h2-3,5-12H,4,13-18H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50117976 (CHEMBL3612835) Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H31N5O2S/c1-4-33-24-14-21-22(15-25(24)34-5-2)30-26(16-32-11-6-7-12-32)31-27(21)29-20-10-8-9-19(13-20)23-17-35-18(3)28-23/h8-10,13-15,17H,4-7,11-12,16H2,1-3H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50462918 (CHEMBL4245867) Show SMILES Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl Show InChI InChI=1S/C24H25Cl2N3O/c25-21-7-3-8-22(23(21)26)29-15-13-28(14-16-29)12-4-11-27-24(30)20-10-9-18-5-1-2-6-19(18)17-20/h1-3,5-10,17H,4,11-16H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting method				Bioorg Med Chem 26: 5538-5546 (2018) Article DOI: 10.1016/j.bmc.2018.09.033 BindingDB Entry DOI: 10.7270/Q2Z89G42
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50462918 (CHEMBL4245867) Show SMILES Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl Show InChI InChI=1S/C24H25Cl2N3O/c25-21-7-3-8-22(23(21)26)29-15-13-28(14-16-29)12-4-11-27-24(30)20-10-9-18-5-1-2-6-19(18)17-20/h1-3,5-10,17H,4,11-16H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction in [3H]-NE uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50117968 (CHEMBL3612825) Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H22N4O3S/c1-14-25-19(12-30-14)15-5-4-6-16(9-15)26-22-17-10-20(28-3)21(29-8-7-27-2)11-18(17)23-13-24-22/h4-6,9-13H,7-8H2,1-3H3,(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50117969 (CHEMBL3612826) Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50462919 (CHEMBL4244291) Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C23H24Cl2N4O/c24-19-8-7-18(16-20(19)25)29-14-12-28(13-15-29)11-3-10-26-23(30)22-9-6-17-4-1-2-5-21(17)27-22/h1-2,4-9,16H,3,10-15H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50117978 (CHEMBL3613153) Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-24-19/h5-15H,3-4H2,1-2H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...				Bioorg Med Chem 23: 6418-26 (2015) Article DOI: 10.1016/j.bmc.2015.08.022 BindingDB Entry DOI: 10.7270/Q2R78H1J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50462916 (CHEMBL4243340) Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H26ClN3O/c25-22-8-10-23(11-9-22)28-16-14-27(15-17-28)13-3-12-26-24(29)21-7-6-19-4-1-2-5-20(19)18-21/h1-2,4-11,18H,3,12-17H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis				Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50235736 (CHEMBL4074999) Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N6/c1-4-11-24(12-5-1)23-33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method				Bioorg Med Chem 25: 2266-2276 (2017) Article DOI: 10.1016/j.bmc.2017.02.051 BindingDB Entry DOI: 10.7270/Q2DN47BS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50261046 (CHEMBL4071385) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1cccc2ccccc12 Show InChI InChI=1S/C26H29N5/c1-2-8-21(9-3-1)20-22-14-18-30(19-15-22)16-7-17-31-26(27-28-29-31)25-13-6-11-23-10-4-5-12-24(23)25/h1-6,8-13,22H,7,14-20H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair

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