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Compile Data Set for Download or QSAR

Found 6602 hits with Last Name = 'seo' and Initial = 'j'   
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


(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 |r|
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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0.339n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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 |r|
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



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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 |t:12|
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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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 |t:12|
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)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 |t:12|
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)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 |t:12|
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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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16n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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16n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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16n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

US Patent


Assay Description
Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...


US Patent US10435408 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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20n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2C receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 |r|
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)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 |r|
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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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30n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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30n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

US Patent


Assay Description
Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...


US Patent US10435408 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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32n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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47n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

US Patent


Assay Description
Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...


US Patent US10435408 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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47n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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47n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458553
PNG
(CHEMBL4218672)
Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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52n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458553
PNG
(CHEMBL4218672)
Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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53n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458553
PNG
(CHEMBL4218672)
Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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53n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

US Patent


Assay Description
Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...


US Patent US10435408 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458554
PNG
(CHEMBL4218801)
Show SMILES Clc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13ClN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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70n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458554
PNG
(CHEMBL4218801)
Show SMILES Clc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13ClN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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70n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

US Patent


Assay Description
Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...


US Patent US10435408 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458554
PNG
(CHEMBL4218801)
Show SMILES Clc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13ClN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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71n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 |r|
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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86n/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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 |r|
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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86n/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)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50458550
PNG
(CHEMBL4209274)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14FN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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97n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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98n/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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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100n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458550
PNG
(CHEMBL4209274)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14FN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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104n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50458550
PNG
(CHEMBL4209274)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14FN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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105n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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106n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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109n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM21962
PNG
(3-[(4S)-4-amino-5-[(2-aminoethyl)(hydroxy)amino]pe...)
Show SMILES NCCN(O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
Show InChI InChI=1S/C8H21N7O3/c9-3-5-14(16)6-7(10)2-1-4-12-8(11)13-15(17)18/h7,16H,1-6,9-10H2,(H3,11,12,13)/t7-/m0/s1
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120 -40.2n/an/an/an/an/a7.530



Northwestern University



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


J Med Chem 50: 2089-99 (2007)


Article DOI: 10.1021/jm061305c
BindingDB Entry DOI: 10.7270/Q2W0947W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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138n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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147n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT1D receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50458557
PNG
(CHEMBL4215875)
Show SMILES Cc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)17-16-14/h2-5,15H,6-9H2,1H3
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150n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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159n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50458558
PNG
(CHEMBL4210782)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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165n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT1D receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM21960
PNG
(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Show SMILES NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9|
Show InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1
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170 -39.3n/an/an/an/an/a7.530



Northwestern University



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


J Med Chem 50: 2089-99 (2007)


Article DOI: 10.1021/jm061305c
BindingDB Entry DOI: 10.7270/Q2W0947W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50458550
PNG
(CHEMBL4209274)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14FN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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175n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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187n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50458550
PNG
(CHEMBL4209274)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14FN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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200n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2C receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50203161
PNG
((2S)-2-amino-5-nitroguanidinopentanoic acid ((3R)-...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCNC1 |w:8.8|
Show InChI InChI=1S/C10H21N7O3/c11-8(9(18)15-7-3-5-13-6-7)2-1-4-14-10(12)16-17(19)20/h7-8,13H,1-6,11H2,(H,15,18)(H3,12,14,16)/t7-,8+/m1/s1
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220n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay


Bioorg Med Chem 15: 1928-38 (2007)


Article DOI: 10.1016/j.bmc.2007.01.001
BindingDB Entry DOI: 10.7270/Q2QF8SJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50458554
PNG
(CHEMBL4218801)
Show SMILES Clc1ccc(cc1)-c1noc2CCNCCc12
Show InChI InChI=1S/C13H13ClN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2
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247n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50458555
PNG
(CHEMBL4207884)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Show InChI InChI=1S/C13H14ClN3/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)16-17-13/h1-4,15H,5-8H2,(H,16,17)
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248n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method


J Med Chem 61: 7218-7233 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00642
BindingDB Entry DOI: 10.7270/Q2BC424N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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290n/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)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
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