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Compile Data Set for Download or QSAR

Found 151 hits from Chonnam National University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor


(Homo sapiens (Human))
BDBM50111766
PNG
(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
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3.90n/an/an/an/an/an/an/an/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
Dopamine receptor


(Homo sapiens (Human))
BDBM50111767
PNG
(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
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9.40n/an/an/an/an/an/an/an/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
Dopamine receptor


(Homo sapiens (Human))
BDBM50111765
PNG
(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
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88n/an/an/an/an/an/an/an/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
PNG
(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
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175n/an/an/an/an/an/an/an/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
PNG
(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
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197n/an/an/an/an/an/an/an/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))
BDBM50111765
PNG
(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
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5.59E+3n/an/an/an/an/an/an/an/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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM78957
PNG
(MLS001163269 | N-[(Z)-1-[3-(dimethylamino)propylca...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-8-10-19(11-9-18)25(31)28-23(26(32)27-14-5-15-29(2)3)17-22-12-13-24(35-22)20-6-4-7-21(16-20)30(33)34/h4,6-13,16-17H,5,14-15H2,1-3H3,(H,27,32)(H,28,31)/b23-17-
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9.11E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM53105
PNG
(CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-9-11-19(12-10-18)25(31)28-22(26(32)27-15-6-16-29(2)3)17-20-13-14-24(35-20)21-7-4-5-8-23(21)30(33)34/h4-5,7-14,17H,6,15-16H2,1-3H3,(H,27,32)(H,28,31)/b22-17-
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9.93E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis


J Med Chem 56: 3414-8 (2013)


Article DOI: 10.1021/jm3014103
BindingDB Entry DOI: 10.7270/Q2PK0HHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117973
PNG
(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)
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n/an/a 56n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117974
PNG
(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)
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n/an/a 108n/an/an/an/an/an/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))
BDBM50117973
PNG
(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)
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n/an/a 153n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM82071
PNG
(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
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n/an/a 200n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM82071
PNG
(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
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n/an/a 204n/an/an/an/an/an/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))
BDBM50117976
PNG
(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)
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n/an/a 238n/an/an/an/an/an/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))
BDBM50117968
PNG
(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)
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n/an/a 267n/an/an/an/an/an/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
PNG
(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)
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n/an/a 268n/an/an/an/an/an/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))
BDBM50117978
PNG
(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)
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n/an/a 275n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117976
PNG
(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)
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n/an/a 323n/an/an/an/an/an/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))
BDBM50117974
PNG
(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)
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n/an/a 342n/an/an/an/an/an/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))
BDBM50155558
PNG
(CHEMBL3774957)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2
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n/an/a 380n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117968
PNG
(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)
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n/an/a 422n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117972
PNG
(CHEMBL3612828)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C23H24N4O2S/c1-5-28-21-10-17-19(11-22(21)29-6-2)24-13-25-23(17)27-18-9-16(8-7-14(18)3)20-12-30-15(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27)
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n/an/a 449n/an/an/an/an/an/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
Androgen Receptor


(Mus musculus)
BDBM50430945
PNG
(CHEMBL2336987)
Show SMILES CCOc1ccc2CN(CCc2c1)c1ccc(cn1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C23H24N4O2/c1-3-29-20-9-7-19-15-27(12-11-17(19)13-20)22-10-8-18(14-24-22)23(28)26-21-6-4-5-16(2)25-21/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,25,26,28)
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n/an/a 460n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse androgen receptor assessed as inhibition of transactivation after 24 hrs by cell-based luciferase reporter gene assay


J Med Chem 56: 3414-8 (2013)


Article DOI: 10.1021/jm3014103
BindingDB Entry DOI: 10.7270/Q2PK0HHM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50117977
PNG
(CHEMBL3613150)
Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2S/c1-4-27-20-9-16-17(10-19(20)26-3)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
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n/an/a 472n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117971
PNG
(CHEMBL3612827)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H20BrN3O3/c1-3-26-18-9-15-16(10-19(18)27-4-2)22-12-23-20(15)24-14-7-5-6-13(8-14)17(25)11-21/h5-10,12H,3-4,11H2,1-2H3,(H,22,23,24)
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n/an/a 500n/an/an/an/an/an/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))
BDBM50155564
PNG
(CHEMBL3774556)
Show SMILES Clc1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C25H34ClN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
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n/an/a 530n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117969
PNG
(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)
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n/an/a 546n/an/an/an/an/an/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))
BDBM50155571
PNG
(CHEMBL3775140)
Show SMILES Clc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1Cl
Show InChI InChI=1S/C25H33Cl2N3/c26-23-8-4-9-24(25(23)27)30-18-16-29(17-19-30)13-5-12-28-14-10-22(11-15-28)20-21-6-2-1-3-7-21/h1-4,6-9,22H,5,10-20H2
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n/an/a 560n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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 noradrenaline transporter


(Homo sapiens (human))
BDBM50155530
PNG
(CHEMBL3775177)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H35N3/c1-3-8-23(9-4-1)22-24-12-16-26(17-13-24)14-7-15-27-18-20-28(21-19-27)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2
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n/an/a 600n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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 noradrenaline transporter


(Homo sapiens (human))
BDBM50155566
PNG
(CHEMBL3775012)
Show SMILES Brc1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C25H34BrN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
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n/an/a 610n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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 noradrenaline transporter


(Homo sapiens (human))
BDBM50117971
PNG
(CHEMBL3612827)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H20BrN3O3/c1-3-26-18-9-15-16(10-19(18)27-4-2)22-12-23-20(15)24-14-7-5-6-13(8-14)17(25)11-21/h5-10,12H,3-4,11H2,1-2H3,(H,22,23,24)
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n/an/a 621n/an/an/an/an/an/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))
BDBM50155569
PNG
(CHEMBL3775703)
Show SMILES Clc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2
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n/an/a 760n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117978
PNG
(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)
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n/an/a 786n/an/an/an/an/an/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))
BDBM50117975
PNG
(CHEMBL3612834)
Show SMILES Brc1ccc2cc(ccc2c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H24N4O2S/c1-15-27-21(13-31-15)16-6-5-7-17(10-16)28-24-19-11-22(29-2)23(12-20(19)25-14-26-24)30-18-8-3-4-9-18/h5-7,10-14,18H,3-4,8-9H2,1-2H3,(H,25,26,28)
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n/an/a 885n/an/an/an/an/an/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))
BDBM50155532
PNG
(CHEMBL3774732)
Show SMILES COc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C26H37N3O/c1-30-26-11-6-5-10-25(26)29-20-18-28(19-21-29)15-7-14-27-16-12-24(13-17-27)22-23-8-3-2-4-9-23/h2-6,8-11,24H,7,12-22H2,1H3
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n/an/a 890n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117977
PNG
(CHEMBL3613150)
Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2S/c1-4-27-20-9-16-17(10-19(20)26-3)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
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n/an/a 986n/an/an/an/an/an/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
Androgen Receptor


(Mus musculus)
BDBM50430946
PNG
(CHEMBL2336980)
Show SMILES COc1ccc2CN(CCc2c1OC)c1ccc(cn1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C23H24N4O3/c1-15-5-4-6-20(25-15)26-23(28)16-8-10-21(24-13-16)27-12-11-18-17(14-27)7-9-19(29-2)22(18)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26,28)
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n/an/a 990n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse androgen receptor assessed as inhibition of transactivation after 24 hrs by cell-based luciferase reporter gene assay


J Med Chem 56: 3414-8 (2013)


Article DOI: 10.1021/jm3014103
BindingDB Entry DOI: 10.7270/Q2PK0HHM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50155531
PNG
(CHEMBL3775405)
Show SMILES Cc1cccc(C)c1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C27H39N3/c1-23-8-6-9-24(2)27(23)30-20-18-29(19-21-30)15-7-14-28-16-12-26(13-17-28)22-25-10-4-3-5-11-25/h3-6,8-11,26H,7,12-22H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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 noradrenaline transporter


(Homo sapiens (human))
BDBM50155570
PNG
(CHEMBL3774516)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C26H34F3N3/c27-26(28,29)24-7-9-25(10-8-24)32-19-17-31(18-20-32)14-4-13-30-15-11-23(12-16-30)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
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n/an/a 1.17E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155558
PNG
(CHEMBL3774957)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2
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n/an/a 1.18E+3n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155530
PNG
(CHEMBL3775177)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H35N3/c1-3-8-23(9-4-1)22-24-12-16-26(17-13-24)14-7-15-27-18-20-28(21-19-27)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2
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n/an/a 1.36E+3n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155569
PNG
(CHEMBL3775703)
Show SMILES Clc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2
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n/an/a 1.46E+3n/an/an/an/an/an/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
Androgen Receptor


(Mus musculus)
BDBM50430944
PNG
(CHEMBL2336966)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)N2CCc3ccccc3C2)n1
Show InChI InChI=1S/C21H20N4O/c1-15-5-4-8-19(23-15)24-21(26)17-9-10-20(22-13-17)25-12-11-16-6-2-3-7-18(16)14-25/h2-10,13H,11-12,14H2,1H3,(H,23,24,26)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis


J Med Chem 56: 3414-8 (2013)


Article DOI: 10.1021/jm3014103
BindingDB Entry DOI: 10.7270/Q2PK0HHM
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155532
PNG
(CHEMBL3774732)
Show SMILES COc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C26H37N3O/c1-30-26-11-6-5-10-25(26)29-20-18-28(19-21-29)15-7-14-27-16-12-24(13-17-27)22-23-8-3-2-4-9-23/h2-6,8-11,24H,7,12-22H2,1H3
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n/an/a 1.76E+3n/an/an/an/an/an/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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50344623
PNG
((E)-3-(5-Bromo-4-hydroxy-2-methoxyphenyl)-1-(4-met...)
Show SMILES COc1cc(O)c(Br)cc1\C=C\C(=O)c1ccc(OC)c(c1)C(C)C(C)=C
Show InChI InChI=1S/C22H23BrO4/c1-13(2)14(3)17-10-15(7-9-21(17)26-4)19(24)8-6-16-11-18(23)20(25)12-22(16)27-5/h6-12,14,25H,1H2,2-5H3/b8-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem Lett 21: 3755-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.057
BindingDB Entry DOI: 10.7270/Q23J3D96
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50117975
PNG
(CHEMBL3612834)
Show SMILES Brc1ccc2cc(ccc2c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H24N4O2S/c1-15-27-21(13-31-15)16-6-5-7-17(10-16)28-24-19-11-22(29-2)23(12-20(19)25-14-26-24)30-18-8-3-4-9-18/h5-7,10-14,18H,3-4,8-9H2,1-2H3,(H,25,26,28)
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n/an/a 1.91E+3n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155531
PNG
(CHEMBL3775405)
Show SMILES Cc1cccc(C)c1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C27H39N3/c1-23-8-6-9-24(2)27(23)30-20-18-29(19-21-30)15-7-14-28-16-12-26(13-17-28)22-25-10-4-3-5-11-25/h3-6,8-11,26H,7,12-22H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50155564
PNG
(CHEMBL3774556)
Show SMILES Clc1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C25H34ClN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
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n/an/a 2.03E+3n/an/an/an/an/an/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50155528
PNG
(CHEMBL3775085)
Show SMILES Brc1ccc(cc1)N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C24H32BrN3/c25-23-6-8-24(9-7-23)28-18-16-27(17-19-28)15-14-26-12-10-22(11-13-26)20-21-4-2-1-3-5-21/h1-9,22H,10-20H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE reuptake in human NET 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
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