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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50001965   
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


(Rattus norvegicus (Rat))
BDBM50451040
PNG
(CHEMBL4218771)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O/c26-21-8-4-19(5-9-21)24(20-6-10-22(27)11-7-20)31-17-15-30(16-18-31)14-13-29-25(32)23-3-1-2-12-28-23/h1-12,24H,13-18H2,(H,29,32)
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0.800n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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Article
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1.90n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451043
PNG
(CHEMBL4206367)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H22Cl2N4O/c20-16-6-5-15(14-17(16)21)25-12-10-24(11-13-25)9-3-8-23-19(26)18-4-1-2-7-22-18/h1-2,4-7,14H,3,8-13H2,(H,23,26)
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9.60n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451049
PNG
(CHEMBL4206623)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-16-5-7-17(8-6-16)24-14-12-23(13-15-24)11-3-10-22-19(25)18-4-1-2-9-21-18/h1-2,4-9H,3,10-15H2,(H,22,25)
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12n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451047
PNG
(CHEMBL4205121)
Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-16-5-7-17(8-6-16)24-14-12-23(13-15-24)11-3-10-22-19(25)18-4-1-2-9-21-18/h1-2,4-9H,3,10-15H2,(H,22,25)
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40n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451068
PNG
(CHEMBL4204620)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C25H27ClN4O.ClH/c26-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)30-18-16-29(17-19-30)15-14-28-25(31)23-8-4-5-13-27-23;/h1-13,24H,14-19H2,(H,28,31);1H
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50n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451072
PNG
(CHEMBL4210519)
Show SMILES O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
Show InChI InChI=1S/C20H24N4O3/c25-20(17-3-1-2-6-21-17)22-7-8-23-9-11-24(12-10-23)14-16-4-5-18-19(13-16)27-15-26-18/h1-6,13H,7-12,14-15H2,(H,22,25)
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61n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451065
PNG
(CHEMBL4204911)
Show SMILES Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C18H21FN4O/c19-15-4-6-16(7-5-15)23-13-11-22(12-14-23)10-9-21-18(24)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)
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79n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451070
PNG
(CHEMBL4203722)
Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C21H28N4O2/c1-2-27-20-10-4-3-9-19(20)25-16-14-24(15-17-25)13-7-12-23-21(26)18-8-5-6-11-22-18/h3-6,8-11H,2,7,12-17H2,1H3,(H,23,26)
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80n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451064
PNG
(CHEMBL4209660)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-15-4-3-5-16(14-15)23-12-10-22(11-13-23)9-8-21-18(24)17-6-1-2-7-20-17/h1-7,14H,8-13H2,(H,21,24)
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91n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451060
PNG
(CHEMBL4210207)
Show SMILES Clc1cccc(c1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-16-5-3-6-17(15-16)24-13-11-23(12-14-24)10-4-9-22-19(25)18-7-1-2-8-21-18/h1-3,5-8,15H,4,9-14H2,(H,22,25)
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101n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451059
PNG
(CHEMBL4214595)
Show SMILES Cc1cccc(N2CCN(CCCNC(=O)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C21H28N4O/c1-17-7-5-9-20(18(17)2)25-15-13-24(14-16-25)12-6-11-23-21(26)19-8-3-4-10-22-19/h3-5,7-10H,6,11-16H2,1-2H3,(H,23,26)
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105n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451069
PNG
(CHEMBL4218931)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C19H24N4O/c24-19(18-9-4-5-10-20-18)21-11-6-12-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,24)
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111n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451073
PNG
(CHEMBL4214290)
Show SMILES Cl.O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C22H24N4O/c27-22(20-9-3-4-11-23-20)24-12-13-25-14-16-26(17-15-25)21-10-5-7-18-6-1-2-8-19(18)21/h1-11H,12-17H2,(H,24,27)
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116n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451052
PNG
(CHEMBL4210997)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O/c27-22-9-5-20(6-10-22)25(21-7-11-23(28)12-8-21)32-18-16-31(17-19-32)15-3-14-30-26(33)24-4-1-2-13-29-24/h1-2,4-13,25H,3,14-19H2,(H,30,33)
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117n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451041
PNG
(CHEMBL4211631)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-26-19-9-3-2-8-18(19)24-15-13-23(14-16-24)12-6-11-22-20(25)17-7-4-5-10-21-17/h2-5,7-10H,6,11-16H2,1H3,(H,22,25)
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128n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451057
PNG
(CHEMBL4218943)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
Show InChI InChI=1S/C20H23N5O/c21-16-17-6-1-2-8-19(17)25-14-12-24(13-15-25)11-5-10-23-20(26)18-7-3-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,26)
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128n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451056
PNG
(CHEMBL4209138)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H21F3N4O/c20-19(21,22)15-4-3-5-16(14-15)26-12-10-25(11-13-26)9-8-24-18(27)17-6-1-2-7-23-17/h1-7,14H,8-13H2,(H,24,27)
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140n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451050
PNG
(CHEMBL4205257)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C18H23N5O/c24-18(16-6-1-3-8-19-16)21-10-5-11-22-12-14-23(15-13-22)17-7-2-4-9-20-17/h1-4,6-9H,5,10-15H2,(H,21,24)
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140n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451063
PNG
(CHEMBL4204796)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-15-5-1-2-7-17(15)23-13-11-22(12-14-23)10-9-21-18(24)16-6-3-4-8-20-16/h1-8H,9-14H2,(H,21,24)
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268n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50145625
PNG
(CHEMBL3763633)
Show SMILES Clc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-1-3-17(4-2-16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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564n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451042
PNG
(CHEMBL4215136)
Show SMILES Clc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-16-6-1-2-8-18(16)24-14-12-23(13-15-24)11-5-10-22-19(25)17-7-3-4-9-21-17/h1-4,6-9H,5,10-15H2,(H,22,25)
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1.05E+3n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451037
PNG
(CHEMBL4214059)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C20H26N4O/c1-16-6-5-8-19(17(16)2)24-14-12-23(13-15-24)11-10-22-20(25)18-7-3-4-9-21-18/h3-9H,10-15H2,1-2H3,(H,22,25)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451062
PNG
(CHEMBL4217522)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
Show InChI InChI=1S/C19H21N5O/c20-15-16-5-1-2-7-18(16)24-13-11-23(12-14-24)10-9-22-19(25)17-6-3-4-8-21-17/h1-8H,9-14H2,(H,22,25)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451066
PNG
(CHEMBL4207997)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C17H21N5O/c23-17(15-5-1-3-7-18-15)20-9-10-21-11-13-22(14-12-21)16-6-2-4-8-19-16/h1-8H,9-14H2,(H,20,23)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451039
PNG
(CHEMBL4209954)
Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C16H20N6O/c23-15(14-4-1-2-5-17-14)18-8-9-21-10-12-22(13-11-21)16-19-6-3-7-20-16/h1-7H,8-13H2,(H,18,23)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451067
PNG
(CHEMBL4207703)
Show SMILES O=C(NCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Show InChI InChI=1S/C17H20N4O3/c22-16(14-4-1-2-6-18-14)19-7-8-20-9-11-21(12-10-20)17(23)15-5-3-13-24-15/h1-6,13H,7-12H2,(H,19,22)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451061
PNG
(CHEMBL4212565)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-2-26-19-9-4-3-8-18(19)24-15-13-23(14-16-24)12-11-22-20(25)17-7-5-6-10-21-17/h3-10H,2,11-16H2,1H3,(H,22,25)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451036
PNG
(CHEMBL4205281)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-17-7-5-16(6-8-17)23-14-12-22(13-15-23)11-10-21-19(24)18-4-2-3-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451055
PNG
(CHEMBL4205290)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-4-5-9-20-16/h2-9H,10-15H2,1H3,(H,21,24)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451053
PNG
(CHEMBL4208886)
Show SMILES Cl.O=C(NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C23H26N4O/c28-23(21-10-3-4-12-24-21)25-13-6-14-26-15-17-27(18-16-26)22-11-5-8-19-7-1-2-9-20(19)22/h1-5,7-12H,6,13-18H2,(H,25,28)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451045
PNG
(CHEMBL4206107)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C26H29ClN4O.ClH/c27-23-12-10-22(11-13-23)25(21-7-2-1-3-8-21)31-19-17-30(18-20-31)16-6-15-29-26(32)24-9-4-5-14-28-24;/h1-5,7-14,25H,6,15-20H2,(H,29,32);1H
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451035
PNG
(CHEMBL4214076)
Show SMILES O=C(NCCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Show InChI InChI=1S/C18H22N4O3/c23-17(15-5-1-2-7-19-15)20-8-4-9-21-10-12-22(13-11-21)18(24)16-6-3-14-25-16/h1-3,5-7,14H,4,8-13H2,(H,20,23)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451058
PNG
(CHEMBL4202926)
Show SMILES CC(CNC(=O)c1ccccn1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O/c1-15(14-25-19(28)18-7-2-3-8-24-18)26-9-11-27(12-10-26)17-6-4-5-16(13-17)20(21,22)23/h2-8,13,15H,9-12,14H2,1H3,(H,25,28)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451051
PNG
(CHEMBL4210471)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-1-2-7-22-18)23-8-3-9-24-10-12-25(13-11-24)15-17-5-6-19-20(14-17)28-16-27-19/h1-2,4-7,14H,3,8-13,15-16H2,(H,23,26)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451044
PNG
(CHEMBL4218142)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C17H22N6O/c24-16(15-5-1-2-6-18-15)19-9-4-10-22-11-13-23(14-12-22)17-20-7-3-8-21-17/h1-3,5-8H,4,9-14H2,(H,19,24)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451048
PNG
(CHEMBL4218351)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-16-6-1-2-8-18(16)24-14-12-23(13-15-24)11-5-10-22-19(25)17-7-3-4-9-21-17/h1-4,6-9H,5,10-15H2,(H,22,25)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451046
PNG
(CHEMBL4217285)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H22N4O/c23-18(17-8-4-5-9-19-17)20-10-11-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,23)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451074
PNG
(CHEMBL4206752)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-26-18-8-6-17(7-9-18)24-15-13-23(14-16-24)12-4-11-22-20(25)19-5-2-3-10-21-19/h2-3,5-10H,4,11-16H2,1H3,(H,22,25)
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Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451054
PNG
(CHEMBL4208744)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C18H20Cl2N4O/c19-15-5-4-14(13-16(15)20)24-11-9-23(10-12-24)8-7-22-18(25)17-3-1-2-6-21-17/h1-6,13H,7-12H2,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50451038
PNG
(CHEMBL4217302)
Show SMILES Fc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C18H21FN4O/c19-15-5-1-2-7-17(15)23-13-11-22(12-14-23)10-9-21-18(24)16-6-3-4-8-20-16/h1-8H,9-14H2,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair