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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50011413   
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 6


(Homo sapiens (Human))
BDBM50106269
PNG
((2-{2-[3-(3-Methoxy-benzyl)-[1,2,4]oxadiazol-5-yl]...)
Show SMILES COc1cccc(Cc2noc(n2)-c2[nH]c3ccccc3c2CCN(C)C)c1
Show InChI InChI=1S/C22H24N4O2/c1-26(2)12-11-18-17-9-4-5-10-19(17)23-21(18)22-24-20(25-28-22)14-15-7-6-8-16(13-15)27-3/h4-10,13,23H,11-12,14H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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2.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106246
PNG
(CHEMBL126340 | [1-Benzenesulfonyl-4-(2-dimethylami...)
Show SMILES CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1F receptor in CHO cells using [3H]-5-HT radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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4.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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4.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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6.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50106246
PNG
(CHEMBL126340 | [1-Benzenesulfonyl-4-(2-dimethylami...)
Show SMILES CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
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6.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106248
PNG
((4S,5S)-4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3...)
Show SMILES CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)26(24,25)22-12-14-11-18(21(2)3)20(23)16-5-4-6-17(22)19(14)16/h4-10,12,18,20,23H,11H2,1-3H3/t18-,20-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106258
PNG
(CHEMBL127636 | {2-[1-(3-Chloro-benzenesulfonyl)-5-...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O3S/c1-21(2)10-9-14-13-22(19-8-7-16(25-3)12-18(14)19)26(23,24)17-6-4-5-15(20)11-17/h4-8,11-13H,9-10H2,1-3H3
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106255
PNG
(CHEMBL98404 | [3-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-20(2)14-7-9-16-8-6-12-19-18(16)13-15-21(19)24(22,23)17-10-4-3-5-11-17/h3-6,8,10-13,15H,7,9,14H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106270
PNG
(CHEMBL339741 | {2-[5-Methoxy-1-(thiophene-2-sulfon...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C17H20N2O3S2/c1-18(2)9-8-13-12-19(24(20,21)17-5-4-10-23-17)16-7-6-14(22-3)11-15(13)16/h4-7,10-12H,8-9H2,1-3H3
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8.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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9.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50093054
PNG
(CHEMBL75010 | {2-[5-Methoxy-1-(naphthalene-2-sulfo...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-24(2)13-12-19-16-25(23-11-9-20(28-3)15-22(19)23)29(26,27)21-10-8-17-6-4-5-7-18(17)14-21/h4-11,14-16H,12-13H2,1-3H3
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9.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106263
PNG
(CHEMBL129614 | {2-[1-(2-Chloro-benzenesulfonyl)-5-...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O3S/c1-21(2)11-10-14-13-22(18-9-8-15(25-3)12-16(14)18)26(23,24)19-7-5-4-6-17(19)20/h4-9,12-13H,10-11H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106267
PNG
(CHEMBL126374 | [2-(1-Benzenesulfonyl-5-methoxy-2-m...)
Show SMILES COc1ccc2n(c(C)c(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O3S/c1-15-18(12-13-21(2)3)19-14-16(25-4)10-11-20(19)22(15)26(23,24)17-8-6-5-7-9-17/h5-11,14H,12-13H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50093053
PNG
(CHEMBL72574 | {2-[1-(4-Chloro-benzenesulfonyl)-5-m...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106254
PNG
(1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-ind...)
Show SMILES CN(C)CCc1cn(c2ccc(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)11-10-14-13-20(18-9-8-15(21)12-17(14)18)24(22,23)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106247
PNG
(3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic a...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
Show InChI InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D3 in HEK 293 cells using [3H]-spiperone radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106261
PNG
(CHEMBL316881 | [3-(2-Dimethylamino-ethyl)-5-methox...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-21(2)12-11-16-14-22(20(23)15-7-5-4-6-8-15)19-10-9-17(24-3)13-18(16)19/h4-10,13-14H,11-12H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50093045
PNG
(CHEMBL76466 | {2-[5-Methoxy-1-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CCN(C)C)c2cc(OC)ccc12
Show InChI InChI=1S/C20H24N2O4S/c1-21(2)12-11-15-14-22(20-10-7-17(26-4)13-19(15)20)27(23,24)18-8-5-16(25-3)6-9-18/h5-10,13-14H,11-12H2,1-4H3
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26n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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29n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor human cloned receptors in CHO cells using [3H]-5-HT


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50106252
PNG
(CHEMBL263700 | [3-(2-Dimethylamino-ethyl)-5-hydrox...)
Show SMILES CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C19H20N2O2/c1-20(2)11-10-15-13-21(18-9-8-16(22)12-17(15)18)19(23)14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1F receptor in CHO using [3H]-5-HT radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106256
PNG
(1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-ind...)
Show SMILES CN(C)CCc1cn(c2ccc(cc12)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19N3O2S/c1-21(2)11-10-16-14-22(19-9-8-15(13-20)12-18(16)19)25(23,24)17-6-4-3-5-7-17/h3-9,12,14H,10-11H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106266
PNG
(2-(1-Benzenesulfonyl-5-methoxy-1H-indol-3-yl)-ethy...)
Show SMILES COc1ccc2n(cc(CCN)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(9-10-18)12-19(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,18H2,1H3
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40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106257
PNG
(1-Benzenesulfonyl-5-methoxy-3-(2-pyrrolidin-1-yl-e...)
Show SMILES COc1ccc2n(cc(CCN3CCCC3)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H24N2O3S/c1-26-18-9-10-21-20(15-18)17(11-14-22-12-5-6-13-22)16-23(21)27(24,25)19-7-3-2-4-8-19/h2-4,7-10,15-16H,5-6,11-14H2,1H3
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44n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106273
PNG
(CHEMBL127732 | {2-[5-Methoxy-1-(toluene-4-sulfonyl...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N2O3S/c1-15-5-8-18(9-6-15)26(23,24)22-14-16(11-12-21(2)3)19-13-17(25-4)7-10-20(19)22/h5-10,13-14H,11-12H2,1-4H3
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45n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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47n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1F receptor in CHO cells using [3H]-5-HT radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106252
PNG
(CHEMBL263700 | [3-(2-Dimethylamino-ethyl)-5-hydrox...)
Show SMILES CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C19H20N2O2/c1-20(2)11-10-15-13-21(18-9-8-16(22)12-17(15)18)19(23)14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50106247
PNG
(3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic a...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
Show InChI InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
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59n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 using [3H]-spiperone radioligand in CHO cells


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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62n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 using [3H]-spiperone radioligand in CHO cells


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106268
PNG
(CHEMBL124971 | [2-(1-Benzenesulfonyl-5-methoxy-2,3...)
Show SMILES COc1ccc2N(CC(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H24N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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65n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50106246
PNG
(CHEMBL126340 | [1-Benzenesulfonyl-4-(2-dimethylami...)
Show SMILES CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D3 in HEK 293 cells using [3H]-spiperone radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D3 in HEK 293 cells using [3H]-spiperone radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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84n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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89n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50106246
PNG
(CHEMBL126340 | [1-Benzenesulfonyl-4-(2-dimethylami...)
Show SMILES CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50106247
PNG
(3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic a...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
Show InChI InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D3 in HEK 293 cells using [3H]-spiperone radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106260
PNG
(CHEMBL338290 | [5-Methoxy-1-(toluene-4-sulfonyl)-1...)
Show SMILES CO[C@@H]1[C@H](Cc2cn(c3cccc1c23)S(=O)(=O)c1ccc(C)cc1)N(C)C
Show InChI InChI=1S/C21H24N2O3S/c1-14-8-10-16(11-9-14)27(24,25)23-13-15-12-19(22(2)3)21(26-4)17-6-5-7-18(23)20(15)17/h5-11,13,19,21H,12H2,1-4H3/t19-,21-/m0/s1
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130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50106247
PNG
(3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic a...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
Show InChI InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
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130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]-DOB radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50106251
PNG
(2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine | C...)
Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14/h1-8,10,12H,9,11,17H2
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140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in HeLa cells was determined using [3H]-5-HT


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in HeLa cells was determined using [3H]-5-HT


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50106252
PNG
(CHEMBL263700 | [3-(2-Dimethylamino-ethyl)-5-hydrox...)
Show SMILES CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C19H20N2O2/c1-20(2)11-10-15-13-21(18-9-8-16(22)12-17(15)18)19(23)14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in CHO cells using [3H]-5-HT as radioligand


J Med Chem 44: 3881-95 (2001)


BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
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