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Compile Data Set for Download or QSAR

Found 1867 hits with Last Name = 'park' and Initial = 'wk'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor


Bioorg Med Chem Lett 20: 1705-11 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298360
PNG
((R)-1-(7-ethyl-1H-furo[2,3-g]indazol-1-yl)propan-2...)
Show SMILES CCc1cc2c(ccc3cnn(C[C@@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50257963
PNG
(2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine |...)
Show SMILES Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
Show InChI InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298361
PNG
((R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130264
PNG
(5-(1,4-diazepan-1-yl)-2-(4-fluorophenylsulfonyl)-N...)
Show SMILES CNc1cc(ccc1S(=O)(=O)c1ccc(F)cc1)N1CCCNCC1
Show InChI InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-11-2-9-21-10-12-22)5-8-18(17)25(23,24)16-6-3-14(19)4-7-16/h3-8,13,20-21H,2,9-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298362
PNG
((R)-3-methyl-1-(4-(trifluoromethyl)-2,3-dihydroben...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(c2ccoc12)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2O/c1-9-8-19(6-5-18-9)12-3-2-11(14(15,16)17)10-4-7-20-13(10)12/h2-4,7,9,18H,5-6,8H2,1H3/t9-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50091831
PNG
((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Show SMILES Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298359
PNG
((8aR,12aS)-2-(2,6-difluorophenyl)-6,7,8a,9,10,11,1...)
Show SMILES Fc1cccc(F)c1-c1cc2[C@H]3CNCC[C@H]3N3CCCSc(c1)c23
Show InChI InChI=1S/C20H20F2N2S/c21-15-3-1-4-16(22)19(15)12-9-13-14-11-23-6-5-17(14)24-7-2-8-25-18(10-12)20(13)24/h1,3-4,9-10,14,17,23H,2,5-8,11H2/t14-,17-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50058069
PNG
(CHEMBL3326993)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C30H36ClN3O2/c1-36-29-16-9-8-15-28(29)34-21-19-33(20-22-34)18-10-2-3-17-30(35)32-23-24-11-4-5-12-25(24)26-13-6-7-14-27(26)31/h4-9,11-16H,2-3,10,17-23H2,1H3,(H,32,35)
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7n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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8.70n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228656
PNG
(5,7-dichloro-3-(4-(diethylamino)phenyl)-3-methylqu...)
Show SMILES CCN(CC)c1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C20H20Cl2N2O2/c1-4-24(5-2)14-8-6-12(7-9-14)20(3)18(25)17-15(22)10-13(21)11-16(17)23-19(20)26/h6-11H,4-5H2,1-3H3,(H,23,26)
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9.20n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50058069
PNG
(CHEMBL3326993)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C30H36ClN3O2/c1-36-29-16-9-8-15-28(29)34-21-19-33(20-22-34)18-10-2-3-17-30(35)32-23-24-11-4-5-12-25(24)26-13-6-7-14-27(26)31/h4-9,11-16H,2-3,10,17-23H2,1H3,(H,32,35)
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11n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228646
PNG
(5,7-dichloro-3-(4-hydroxyphenyl)-3-methylquinoline...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H11Cl2NO3/c1-16(8-2-4-10(20)5-3-8)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7,20H,1H3,(H,19,22)
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12.3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058069
PNG
(CHEMBL3326993)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C30H36ClN3O2/c1-36-29-16-9-8-15-28(29)34-21-19-33(20-22-34)18-10-2-3-17-30(35)32-23-24-11-4-5-12-25(24)26-13-6-7-14-27(26)31/h4-9,11-16H,2-3,10,17-23H2,1H3,(H,32,35)
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16n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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20n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058162
PNG
(CHEMBL3326986)
Show SMILES COc1cccc(c1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C30H37N3O3/c1-35-26-12-9-11-24(22-26)27-13-4-3-10-25(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)36-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
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22n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058156
PNG
(CHEMBL3326989)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2C)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-11-3-5-13-26(24)27-14-6-4-12-25(27)23-31-30(34)17-9-10-18-32-19-21-33(22-20-32)28-15-7-8-16-29(28)35-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058211
PNG
(CHEMBL3326984)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-11-5-4-10-27(28)33-20-18-32(19-21-33)17-7-6-12-29(34)31-22-24-8-2-3-9-26(24)23-13-15-25(30)16-14-23/h2-5,8-11,13-16H,6-7,12,17-22H2,1H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228671
PNG
(5,7-dichloro-3-(4-(ethylamino)phenyl)-3-methylquin...)
Show SMILES CCNc1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C18H16Cl2N2O2/c1-3-21-12-6-4-10(5-7-12)18(2)16(23)15-13(20)8-11(19)9-14(15)22-17(18)24/h4-9,21H,3H2,1-2H3,(H,22,24)
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28.3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228648
PNG
(5,7-dichloro-3-(3-hydroxyphenyl)-3-methylquinoline...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1
Show InChI InChI=1S/C16H11Cl2NO3/c1-16(8-3-2-4-10(20)5-8)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7,20H,1H3,(H,19,22)
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30.1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058209
PNG
(CHEMBL3326985)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2OC)CC1
Show InChI InChI=1S/C30H37N3O3/c1-35-28-15-7-5-13-26(28)25-12-4-3-11-24(25)23-31-30(34)17-9-10-18-32-19-21-33(22-20-32)27-14-6-8-16-29(27)36-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34)
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31n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058157
PNG
(CHEMBL3326988)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2c(OC)cccc2OC)CC1
Show InChI InChI=1S/C31H39N3O4/c1-36-27-14-7-6-13-26(27)34-21-19-33(20-22-34)18-9-8-17-30(35)32-23-24-11-4-5-12-25(24)31-28(37-2)15-10-16-29(31)38-3/h4-7,10-16H,8-9,17-23H2,1-3H3,(H,32,35)
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32n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058216
PNG
(CHEMBL3326980)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
Show InChI InChI=1S/C29H34FN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058215
PNG
(CHEMBL3326981)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H34FN3O2/c1-35-28-11-5-4-10-27(28)33-20-18-32(19-21-33)17-7-6-12-29(34)31-22-24-8-2-3-9-26(24)23-13-15-25(30)16-14-23/h2-5,8-11,13-16H,6-7,12,17-22H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058217
PNG
(CHEMBL3326979)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2F)CC1
Show InChI InChI=1S/C29H34FN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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37n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058219
PNG
(CHEMBL3325464)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O2/c1-34-28-16-8-7-15-27(28)32-21-19-31(20-22-32)18-10-9-17-29(33)30-23-25-13-5-6-14-26(25)24-11-3-2-4-12-24/h2-8,11-16H,9-10,17-23H2,1H3,(H,30,33)
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38n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058218
PNG
(CHEMBL3326978)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-35-29-17-10-9-16-28(29)33-22-20-32(21-23-33)19-11-3-6-18-30(34)31-24-26-14-7-8-15-27(26)25-12-4-2-5-13-25/h2,4-5,7-10,12-17H,3,6,11,18-24H2,1H3,(H,31,34)
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44n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058159
PNG
(CHEMBL3326987)
Show SMILES COc1ccc(cc1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C30H37N3O3/c1-35-26-16-14-24(15-17-26)27-10-4-3-9-25(27)23-31-30(34)13-7-8-18-32-19-21-33(22-20-32)28-11-5-6-12-29(28)36-2/h3-6,9-12,14-17H,7-8,13,18-23H2,1-2H3,(H,31,34)
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44n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058070
PNG
(CHEMBL3326992)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C28H32ClN3O2/c1-34-27-14-7-6-13-26(27)32-19-17-31(18-20-32)16-8-15-28(33)30-21-22-9-2-3-10-23(22)24-11-4-5-12-25(24)29/h2-7,9-14H,8,15-21H2,1H3,(H,30,33)
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47n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058151
PNG
(CHEMBL3326990)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
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48n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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54.7n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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55n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058282
PNG
(CHEMBL3326977)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-15-8-7-14-26(27)31-20-18-30(19-21-31)17-9-16-28(32)29-22-24-12-5-6-13-25(24)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,29,32)
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65n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50058071
PNG
(CHEMBL3326991)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-14-16-25(17-15-24)27-10-4-3-9-26(27)23-31-30(34)13-7-8-18-32-19-21-33(22-20-32)28-11-5-6-12-29(28)35-2/h3-6,9-12,14-17H,7-8,13,18-23H2,1-2H3,(H,31,34)
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66n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50058069
PNG
(CHEMBL3326993)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C30H36ClN3O2/c1-36-29-16-9-8-15-28(29)34-21-19-33(20-22-34)18-10-2-3-17-30(35)32-23-24-11-4-5-12-25(24)26-13-6-7-14-27(26)31/h4-9,11-16H,2-3,10,17-23H2,1H3,(H,32,35)
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70n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50228666
PNG
(5-bromo-7-methoxy-3-methyl-3-phenylquinoline-2,4(1...)
Show SMILES COc1cc(Br)c2C(=O)C(C)(C(=O)Nc2c1)c1ccccc1
Show InChI InChI=1S/C17H14BrNO3/c1-17(10-6-4-3-5-7-10)15(20)14-12(18)8-11(22-2)9-13(14)19-16(17)21/h3-9H,1-2H3,(H,19,21)
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73.2n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)

More data for this
Ligand-Target Pair
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