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Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'welmaker' and Initial = 'gs'   
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 2C


(Homo sapiens (Human))
BDBM50091825
PNG
(8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,...)
Show SMILES Clc1cc2NCC3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091822
PNG
(8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Clc1cc2NC(=O)C3CNCCN3c2cc1Cl
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)
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4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091829
PNG
((R)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazin...)
Show SMILES Clc1cc2NC[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2/t7-/m1/s1
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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091826
PNG
((S)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazin...)
Show SMILES Clc1cc2NC[C@@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2/t7-/m0/s1
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8n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091830
PNG
(9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro-1H,...)
Show SMILES FC(F)(F)c1cc2NC(=O)C3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)
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9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246834
PNG
(CHEMBL4067640)
Show SMILES C[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C11H15ClN4/c1-8-6-15-11(13)16(8)5-4-9-2-3-10(12)14-7-9/h2-3,7-8H,4-6H2,1H3,(H2,13,15)/t8-/m0/s1
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11n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246823
PNG
(CHEMBL4071277)
Show SMILES OC[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4O/c12-11-14-7-10(8-16)15(11)5-3-9-2-1-4-13-6-9/h1-2,4,6,10,16H,3,5,7-8H2,(H2,12,14)/t10-/m1/s1
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13n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091834
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a,5,6-hexahy...)
Show SMILES FC(F)(F)c1cc2NC[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H13ClF3N3/c13-9-4-11-10(3-8(9)12(14,15)16)18-6-7-5-17-1-2-19(7)11/h3-4,7,17-18H,1-2,5-6H2/t7-/m1/s1
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17n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091825
PNG
(8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,...)
Show SMILES Clc1cc2NCC3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2
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18n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246826
PNG
(CHEMBL4084577)
Show SMILES C[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4/c1-9-7-14-11(12)15(9)6-4-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H2,12,14)/t9-/m0/s1
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18n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246835
PNG
(CHEMBL4077474)
Show SMILES OC[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C11H15ClN4O/c12-10-2-1-8(5-14-10)3-4-16-9(7-17)6-15-11(16)13/h1-2,5,9,17H,3-4,6-7H2,(H2,13,15)/t9-/m1/s1
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20n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091832
PNG
(7,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Clc1cc(Cl)c2NC(=O)C3CNCCN3c2c1
Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-7(13)10-8(4-6)16-2-1-14-5-9(16)11(17)15-10/h3-4,9,14H,1-2,5H2,(H,15,17)
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20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]-inositol monophosphate fromation in CHO cells in which the human 5-HT2C receptor subtype was...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091835
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro...)
Show SMILES FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)/t10-/m1/s1
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25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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32n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091821
PNG
((R)-9-Chloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Clc1ccc2NC(=O)[C@H]3CNCCN3c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-8-9(5-7)15-4-3-13-6-10(15)11(16)14-8/h1-2,5,10,13H,3-4,6H2,(H,14,16)/t10-/m1/s1
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34n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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36n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145564
PNG
(4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[c...)
Show SMILES C1CCc2c(CC1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C16H20N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h4-5,7,17H,1-3,6,8-11H2
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38n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091822
PNG
(8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Clc1cc2NC(=O)C3CNCCN3c2cc1Cl
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)
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58n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246819
PNG
(CHEMBL4073220)
Show SMILES N=C1NCCN1CCc1cccnc1
Show InChI InChI=1S/C10H14N4/c11-10-13-5-7-14(10)6-3-9-2-1-4-12-8-9/h1-2,4,8H,3,5-7H2,(H2,11,13)
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58n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091826
PNG
((S)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazin...)
Show SMILES Clc1cc2NC[C@@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2/t7-/m0/s1
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61n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091827
PNG
((S)-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-/m0/s1
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66n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145562
PNG
(8,8,10,10-Tetramethyl-1,2,3,4,8,9,10,11-octahydro-...)
Show SMILES CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
Show InChI InChI=1S/C19H26N2/c1-18(2)10-15-16(19(3,4)12-18)14-7-5-6-13-11-20-8-9-21(15)17(13)14/h5-7,20H,8-12H2,1-4H3
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79n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246827
PNG
(CHEMBL4100236)
Show SMILES Clc1ccc(CCN2CCNC2=N)cn1
Show InChI InChI=1S/C10H13ClN4/c11-9-2-1-8(7-14-9)3-5-15-6-4-13-10(15)12/h1-2,7H,3-6H2,(H2,12,13)
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80n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091830
PNG
(9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro-1H,...)
Show SMILES FC(F)(F)c1cc2NC(=O)C3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)
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84n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Rattus norvegicus (Rat))
BDBM50246823
PNG
(CHEMBL4071277)
Show SMILES OC[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4O/c12-11-14-7-10(8-16)15(11)5-3-9-2-1-4-13-6-9/h1-2,4,6,10,16H,3,5,7-8H2,(H2,12,14)/t10-/m1/s1
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85n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091829
PNG
((R)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazin...)
Show SMILES Clc1cc2NC[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2/t7-/m1/s1
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88n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091833
PNG
(8,9-Difluoro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Fc1cc2NC(=O)C3CNCCN3c2cc1F
Show InChI InChI=1S/C11H11F2N3O/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)
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91n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091834
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a,5,6-hexahy...)
Show SMILES FC(F)(F)c1cc2NC[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H13ClF3N3/c13-9-4-11-10(3-8(9)12(14,15)16)18-6-7-5-17-1-2-19(7)11/h3-4,7,17-18H,1-2,5-6H2/t7-/m1/s1
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92n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]-inositol monophosphate fromation in CHO cells in which the human 5-HT2C receptor subtype was...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145568
PNG
(4,5,6,7,9,10-Hexahydro-8H-5,7a-diaza-benzo[cd]cycl...)
Show SMILES C1Cc2c(C1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C14H16N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,15H,2,4,6-9H2
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97n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145569
PNG
(7-Fluoro-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Fc1ccc2CNCCn3c4CCCCc4c1c23
Show InChI InChI=1S/C15H17FN2/c16-12-6-5-10-9-17-7-8-18-13-4-2-1-3-11(13)14(12)15(10)18/h5-6,17H,1-4,7-9H2
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111n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50246834
PNG
(CHEMBL4067640)
Show SMILES C[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C11H15ClN4/c1-8-6-15-11(13)16(8)5-4-9-2-3-10(12)14-7-9/h2-3,7-8H,4-6H2,1H3,(H2,13,15)/t8-/m0/s1
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125n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145562
PNG
(8,8,10,10-Tetramethyl-1,2,3,4,8,9,10,11-octahydro-...)
Show SMILES CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
Show InChI InChI=1S/C19H26N2/c1-18(2)10-15-16(19(3,4)12-18)14-7-5-6-13-11-20-8-9-21(15)17(13)14/h5-7,20H,8-12H2,1-4H3
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152n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091835
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro...)
Show SMILES FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)/t10-/m1/s1
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160n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Rattus norvegicus (Rat))
BDBM50246826
PNG
(CHEMBL4084577)
Show SMILES C[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4/c1-9-7-14-11(12)15(9)6-4-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H2,12,14)/t9-/m0/s1
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167n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Rattus norvegicus (Rat))
BDBM50246823
PNG
(CHEMBL4071277)
Show SMILES OC[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4O/c12-11-14-7-10(8-16)15(11)5-3-9-2-1-4-13-6-9/h1-2,4,6,10,16H,3,5,7-8H2,(H2,12,14)/t10-/m1/s1
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184n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145559
PNG
((R)-2-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES C[C@@H]1Cn2c3CCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C16H20N2/c1-11-10-18-15-8-3-2-6-13(15)14-7-4-5-12(9-17-11)16(14)18/h4-5,7,11,17H,2-3,6,8-10H2,1H3/t11-/m1/s1
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189n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145564
PNG
(4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[c...)
Show SMILES C1CCc2c(CC1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C16H20N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h4-5,7,17H,1-3,6,8-11H2
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199n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246831
PNG
(CHEMBL4089792)
Show SMILES Fc1cccc(CCN2CCNC2=N)c1
Show InChI InChI=1S/C11H14FN3/c12-10-3-1-2-9(8-10)4-6-15-7-5-14-11(15)13/h1-3,8H,4-7H2,(H2,13,14)
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221n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091821
PNG
((R)-9-Chloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,...)
Show SMILES Clc1ccc2NC(=O)[C@H]3CNCCN3c2c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-1-2-8-9(5-7)15-4-3-13-6-10(15)11(16)14-8/h1-2,5,10,13H,3-4,6H2,(H,14,16)/t10-/m1/s1
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238n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145563
PNG
(9,9-Dimethyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES CC1(C)CCc2c(C1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C17H22N2/c1-17(2)7-6-15-14(10-17)13-5-3-4-12-11-18-8-9-19(15)16(12)13/h3-5,18H,6-11H2,1-2H3
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243n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50246835
PNG
(CHEMBL4077474)
Show SMILES OC[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C11H15ClN4O/c12-10-2-1-8(5-14-10)3-4-16-9(7-17)6-15-11(16)13/h1-2,5,9,17H,3-4,6-7H2,(H2,13,15)/t9-/m1/s1
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281n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091827
PNG
((S)-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-/m0/s1
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285n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]-inositol monophosphate fromation in CHO cells in which the human 5-HT2C receptor subtype was...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50246843
PNG
(CHEMBL4092784)
Show SMILES Brc1cccc(CCN2CCNC2=N)c1
Show InChI InChI=1S/C11H14BrN3/c12-10-3-1-2-9(8-10)4-6-15-7-5-14-11(15)13/h1-3,8H,4-7H2,(H2,13,14)
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314n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50246830
PNG
(CHEMBL4061680)
Show SMILES OC[C@H]1CNC(=N)N1CCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H15Cl2N3O/c13-10-2-1-8(5-11(10)14)3-4-17-9(7-18)6-16-12(17)15/h1-2,5,9,18H,3-4,6-7H2,(H2,15,16)/t9-/m1/s1
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321n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50246825
PNG
(CHEMBL4068559)
Show SMILES N=C1NCCN1CCc1ccccc1
Show InChI InChI=1S/C11H15N3/c12-11-13-7-9-14(11)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,13)
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325n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145561
PNG
(6-Chloro-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Clc1cc2CNCCn3c4CCCCc4c(c1)c23
Show InChI InChI=1S/C15H17ClN2/c16-11-7-10-9-17-5-6-18-14-4-2-1-3-12(14)13(8-11)15(10)18/h7-8,17H,1-6,9H2
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358n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246832
PNG
(CHEMBL4070832)
Show SMILES C[C@H]1CNC(=N)N1CCc1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H16BrN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
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361n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246825
PNG
(CHEMBL4068559)
Show SMILES N=C1NCCN1CCc1ccccc1
Show InChI InChI=1S/C11H15N3/c12-11-13-7-9-14(11)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,13)
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361n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
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