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Compile Data Set for Download or QSAR

Found 44 hits of ic50 data for polymerid = 49000060,7150,7885   
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))
BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50060681
PNG
((6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indol...)
Show SMILES CCC(CC)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C22H29N3O/c1-5-16(6-2)23-22(26)15-10-18-17-8-7-9-19-21(17)14(12-24(19)3)11-20(18)25(4)13-15/h7-10,12,15-16,20H,5-6,11,13H2,1-4H3,(H,23,26)/t15-,20-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]-Ketanserin ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 11n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 11n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50078063
PNG
(CHEMBL70319 | Trifluoro-methanesulfonic acid 8-chl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H18ClF3N4O3S/c1-26-6-8-27(9-7-26)18-14-11-13(30-31(28,29)19(21,22)23)3-5-15(14)24-16-4-2-12(20)10-17(16)25-18/h2-5,10-11,24H,6-9H2,1H3
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n/an/a 13n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061558
PNG
(2-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3N=C(N3CCN(C)CC3)c2c1 |t:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061558
PNG
(2-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3N=C(N3CCN(C)CC3)c2c1 |t:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
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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n/an/a 25.7n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1C receptor


J Med Chem 35: 4503-5 (1992)


BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061559
PNG
(CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061559
PNG
(CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 42n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 81n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1C receptor


J Med Chem 35: 4503-5 (1992)


BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061556
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(O)cc12 |t:8|
Show InChI InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)18-14-12-13(23)6-7-15(14)19-16-4-2-3-5-17(16)20-18/h2-7,12,19,23H,8-11H2,1H3
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n/an/a 81n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061556
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(O)cc12 |t:8|
Show InChI InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)18-14-12-13(23)6-7-15(14)19-16-4-2-3-5-17(16)20-18/h2-7,12,19,23H,8-11H2,1H3
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n/an/a 81n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061555
PNG
(8-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(24-2)13-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061555
PNG
(8-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...)
Show SMILES COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|
Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(24-2)13-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50078062
PNG
(CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1C receptor


J Med Chem 35: 4503-5 (1992)


BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50078061
PNG
(CHEMBL73589 | Trifluoro-methanesulfonic acid 11-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H18F3N3O3S2/c1-24-8-10-25(11-9-24)18-14-12-13(28-30(26,27)19(20,21)22)6-7-16(14)29-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3
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n/an/a 280n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
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n/an/a 413n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061557
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-15(14)19-16-7-6-13(23)12-17(16)20-18/h2-7,12,19,23H,8-11H2,1H3
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n/an/a 440n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061557
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-15(14)19-16-7-6-13(23)12-17(16)20-18/h2-7,12,19,23H,8-11H2,1H3
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n/an/a 440n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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n/an/a 470n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061560
PNG
(CHEMBL310712 | Trifluoro-methanesulfonic acid 11-(...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(OS(=O)(=O)C(F)(F)F)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-4-2-3-5-15(14)23-16-7-6-13(12-17(16)24-18)29-30(27,28)19(20,21)22/h2-7,12,23H,8-11H2,1H3
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n/an/a 620n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50061560
PNG
(CHEMBL310712 | Trifluoro-methanesulfonic acid 11-(...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(OS(=O)(=O)C(F)(F)F)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-4-2-3-5-15(14)23-16-7-6-13(12-17(16)24-18)29-30(27,28)19(20,21)22/h2-7,12,23H,8-11H2,1H3
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n/an/a 620n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50060686
PNG
(4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinolin...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n2cccc12
Show InChI InChI=1S/C16H18N4/c1-18-9-11-19(12-10-18)16-15-7-4-8-20(15)14-6-3-2-5-13(14)17-16/h2-8H,9-12H2,1H3
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n/an/a 780n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50060684
PNG
(9-Fluoro-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxalin...)
Show SMILES Fc1cccc2nc(N3CCNCC3)c3cccn3c12
Show InChI InChI=1S/C15H15FN4/c16-11-3-1-4-12-14(11)20-8-2-5-13(20)15(18-12)19-9-6-17-7-10-19/h1-5,8,17H,6-7,9-10H2
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n/an/a 784n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research (UK)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards the 5-hydroxytryptamine 1C receptor at 10 e-6 M


J Med Chem 36: 1509-10 (1993)


BindingDB Entry DOI: 10.7270/Q29W0DJH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes


J Med Chem 40: 4146-53 (1998)


Article DOI: 10.1021/jm9704457
BindingDB Entry DOI: 10.7270/Q2DV1J1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50286670
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-naphth...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H28N4O2/c27-11-10-20-17-28-24-9-8-21(16-23(20)24)32-18-26(31)30-14-12-29(13-15-30)25-7-3-5-19-4-1-2-6-22(19)25/h1-9,16-17,28H,10-15,18,27H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its affinity towards 5-hydroxytryptamine 1C receptor


Bioorg Med Chem Lett 5: 663-666 (1995)


Article DOI: 10.1016/0960-894X(95)00091-7
BindingDB Entry DOI: 10.7270/Q2ZK5GMX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155947
PNG
(US9018213, 19)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C28H34N2O4/c31-20-21-7-1-4-10-26(21)30-16-14-29(15-17-30)13-5-6-18-33-22-11-12-24-23-8-2-3-9-25(23)28(32)34-27(24)19-22/h1,4,7,10-12,19,31H,2-3,5-6,8-9,13-18,20H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155935
PNG
(US9018213, 5)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H27FN2O4/c28-18-5-7-23-25(15-18)34-29-26(23)17-9-12-30(13-10-17)11-2-14-32-19-6-8-21-20-3-1-4-22(20)27(31)33-24(21)16-19/h5-8,15-17H,1-4,9-14H2
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n/an/a 1.16E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50081702
PNG
(5-Methoxy-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1C receptor


J Med Chem 35: 4503-5 (1992)


BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50078066
PNG
(CHEMBL307163 | Methanesulfonic acid 11-(4-methyl-p...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(C)(=O)=O)cc12 |t:8|
Show InChI InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)19-15-13-14(26-27(2,24)25)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155937
PNG
(US9018213, 7)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H32N2O4/c30-19-20-6-1-2-9-25(20)29-15-13-28(14-16-29)12-3-4-17-32-21-10-11-23-22-7-5-8-24(22)27(31)33-26(23)18-21/h1-2,6,9-11,18,30H,3-5,7-8,12-17,19H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155943
PNG
(US9018213, 14)
Show SMILES Clc1c(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc2c3CCCc3c(=O)oc12
Show InChI InChI=1S/C27H28ClN3O3S/c28-24-22(11-10-19-18-7-5-8-20(18)27(32)34-25(19)24)33-17-4-3-12-30-13-15-31(16-14-30)26-21-6-1-2-9-23(21)35-29-26/h1-2,6,9-11H,3-5,7-8,12-17H2
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n/an/a 1.49E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50448210
PNG
(CHEMBL3120697 | US9018213, 15)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
Show InChI InChI=1S/C28H28ClFN2O4/c29-25-23(9-8-20-19-4-3-5-21(19)28(33)35-27(20)25)34-15-2-1-12-32-13-10-17(11-14-32)26-22-7-6-18(30)16-24(22)36-31-26/h6-9,16-17H,1-5,10-15H2
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US Patent
n/an/a 1.89E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 2C receptor


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50060679
PNG
(7-Fluoro-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxalin...)
Show SMILES Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C15H15FN4/c16-11-3-4-13-12(10-11)18-15(14-2-1-7-20(13)14)19-8-5-17-6-9-19/h1-4,7,10,17H,5-6,8-9H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50078065
PNG
(CHEMBL70609 | Methanesulfonic acid 11-(4-methyl-pi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(OS(C)(=O)=O)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(13-18(17)21-19)26-27(2,24)25/h3-8,13,20H,9-12H2,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair