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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50010456   
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 2A


(Homo sapiens (Human))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
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0.0800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095043
PNG
(CHEMBL90911 | Ethyl-methyl-{2-[2-(3-trifluoromethy...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2/c1-3-25(2)12-11-17-16-9-4-5-10-18(16)24-19(17)14-7-6-8-15(13-14)20(21,22)23/h4-10,13,24H,3,11-12H2,1-2H3
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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095035
PNG
(CHEMBL91549 | Ethyl-methyl-[2-(2-phenyl-1H-indol-3...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H22N2/c1-3-21(2)14-13-17-16-11-7-8-12-18(16)20-19(17)15-9-5-4-6-10-15/h4-12,20H,3,13-14H2,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095038
PNG
(CHEMBL90837 | Ethyl-methyl-{2-[2-(3-nitro-phenyl)-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H21N3O2/c1-3-21(2)12-11-17-16-9-4-5-10-18(16)20-19(17)14-7-6-8-15(13-14)22(23)24/h4-10,13,20H,3,11-12H2,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095042
PNG
(3-[2-((R)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095036
PNG
(CHEMBL330303 | {2-[2-(3,5-Bis-trifluoromethyl-phen...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F6N2/c1-3-29(2)9-8-17-16-6-4-5-7-18(16)28-19(17)13-10-14(20(22,23)24)12-15(11-13)21(25,26)27/h4-7,10-12,28H,3,8-9H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095037
PNG
(3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...)
Show SMILES COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-25-16-18-10-7-14-24(18)15-13-20-19-11-5-6-12-21(19)23-22(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,23H,7,10,13-16H2,1H3/t18-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095044
PNG
(CHEMBL91197 | Ethyl-{2-[2-(2-fluoro-phenyl)-1H-ind...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1F
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-15-14-8-5-7-11-18(14)21-19(15)16-9-4-6-10-17(16)20/h4-11,21H,3,12-13H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095039
PNG
(CHEMBL328459 | Ethyl-{2-[2-(4-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095033
PNG
(CHEMBL92416 | Ethyl-methyl-[2-(2-thiophen-2-yl-1H-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccs1
Show InChI InChI=1S/C17H20N2S/c1-3-19(2)11-10-14-13-7-4-5-8-15(13)18-17(14)16-9-6-12-20-16/h4-9,12,18H,3,10-11H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095040
PNG
(CHEMBL328257 | Diethyl-[2-(2-phenyl-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H24N2/c1-3-22(4-2)15-14-18-17-12-8-9-13-19(17)21-20(18)16-10-6-5-7-11-16/h5-13,21H,3-4,14-15H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095045
PNG
(CHEMBL91463 | {2-[2-(4-Chloro-phenyl)-1H-indol-3-y...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095047
PNG
(3-[2-((S)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095029
PNG
(CHEMBL91447 | Dimethyl-[2-(2-phenyl-1H-indol-3-yl)...)
Show SMILES CN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H20N2/c1-20(2)13-12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,19H,12-13H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
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8.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095031
PNG
(2-Phenyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | C...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
Show InChI InChI=1S/C20H22N2/c1-2-8-16(9-3-1)20-18(12-15-22-13-6-7-14-22)17-10-4-5-11-19(17)21-20/h1-5,8-11,21H,6-7,12-15H2
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095035
PNG
(CHEMBL91549 | Ethyl-methyl-[2-(2-phenyl-1H-indol-3...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H22N2/c1-3-21(2)14-13-17-16-11-7-8-12-18(16)20-19(17)15-9-5-4-6-10-15/h4-12,20H,3,13-14H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095043
PNG
(CHEMBL90911 | Ethyl-methyl-{2-[2-(3-trifluoromethy...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2/c1-3-25(2)12-11-17-16-9-4-5-10-18(16)24-19(17)14-7-6-8-15(13-14)20(21,22)23/h4-10,13,24H,3,11-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095036
PNG
(CHEMBL330303 | {2-[2-(3,5-Bis-trifluoromethyl-phen...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F6N2/c1-3-29(2)9-8-17-16-6-4-5-7-18(16)28-19(17)13-10-14(20(22,23)24)12-15(11-13)21(25,26)27/h4-7,10-12,28H,3,8-9H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095043
PNG
(CHEMBL90911 | Ethyl-methyl-{2-[2-(3-trifluoromethy...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2/c1-3-25(2)12-11-17-16-9-4-5-10-18(16)24-19(17)14-7-6-8-15(13-14)20(21,22)23/h4-10,13,24H,3,11-12H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095039
PNG
(CHEMBL328459 | Ethyl-{2-[2-(4-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095042
PNG
(3-[2-((R)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095037
PNG
(3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...)
Show SMILES COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-25-16-18-10-7-14-24(18)15-13-20-19-11-5-6-12-21(19)23-22(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,23H,7,10,13-16H2,1H3/t18-/m0/s1
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29n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095044
PNG
(CHEMBL91197 | Ethyl-{2-[2-(2-fluoro-phenyl)-1H-ind...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1F
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-15-14-8-5-7-11-18(14)21-19(15)16-9-4-6-10-17(16)20/h4-11,21H,3,12-13H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095039
PNG
(CHEMBL328459 | Ethyl-{2-[2-(4-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095045
PNG
(CHEMBL91463 | {2-[2-(4-Chloro-phenyl)-1H-indol-3-y...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095042
PNG
(3-[2-((R)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m1/s1
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36n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095038
PNG
(CHEMBL90837 | Ethyl-methyl-{2-[2-(3-nitro-phenyl)-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H21N3O2/c1-3-21(2)12-11-17-16-9-4-5-10-18(16)20-19(17)14-7-6-8-15(13-14)22(23)24/h4-10,13,20H,3,11-12H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095038
PNG
(CHEMBL90837 | Ethyl-methyl-{2-[2-(3-nitro-phenyl)-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H21N3O2/c1-3-21(2)12-11-17-16-9-4-5-10-18(16)20-19(17)14-7-6-8-15(13-14)22(23)24/h4-10,13,20H,3,11-12H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095032
PNG
(3-(2-Azetidin-1-yl-ethyl)-2-phenyl-1H-indole | CHE...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCC1
Show InChI InChI=1S/C19H20N2/c1-2-7-15(8-3-1)19-17(11-14-21-12-6-13-21)16-9-4-5-10-18(16)20-19/h1-5,7-10,20H,6,11-14H2
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44n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
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68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095033
PNG
(CHEMBL92416 | Ethyl-methyl-[2-(2-thiophen-2-yl-1H-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccs1
Show InChI InChI=1S/C17H20N2S/c1-3-19(2)11-10-14-13-7-4-5-8-15(13)18-17(14)16-9-6-12-20-16/h4-9,12,18H,3,10-11H2,1-2H3
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78n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095035
PNG
(CHEMBL91549 | Ethyl-methyl-[2-(2-phenyl-1H-indol-3...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H22N2/c1-3-21(2)14-13-17-16-11-7-8-12-18(16)20-19(17)15-9-5-4-6-10-15/h4-12,20H,3,13-14H2,1-2H3
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85n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095037
PNG
(3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...)
Show SMILES COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-25-16-18-10-7-14-24(18)15-13-20-19-11-5-6-12-21(19)23-22(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,23H,7,10,13-16H2,1H3/t18-/m0/s1
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92n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095033
PNG
(CHEMBL92416 | Ethyl-methyl-[2-(2-thiophen-2-yl-1H-...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccs1
Show InChI InChI=1S/C17H20N2S/c1-3-19(2)11-10-14-13-7-4-5-8-15(13)18-17(14)16-9-6-12-20-16/h4-9,12,18H,3,10-11H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095044
PNG
(CHEMBL91197 | Ethyl-{2-[2-(2-fluoro-phenyl)-1H-ind...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1F
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)13-12-15-14-8-5-7-11-18(14)21-19(15)16-9-4-6-10-17(16)20/h4-11,21H,3,12-13H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095040
PNG
(CHEMBL328257 | Diethyl-[2-(2-phenyl-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H24N2/c1-3-22(4-2)15-14-18-17-12-8-9-13-19(17)21-20(18)16-10-6-5-7-11-16/h5-13,21H,3-4,14-15H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095029
PNG
(CHEMBL91447 | Dimethyl-[2-(2-phenyl-1H-indol-3-yl)...)
Show SMILES CN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H20N2/c1-20(2)13-12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,19H,12-13H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095036
PNG
(CHEMBL330303 | {2-[2-(3,5-Bis-trifluoromethyl-phen...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F6N2/c1-3-29(2)9-8-17-16-6-4-5-7-18(16)28-19(17)13-10-14(20(22,23)24)12-15(11-13)21(25,26)27/h4-7,10-12,28H,3,8-9H2,1-2H3
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187n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095047
PNG
(3-[2-((S)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m0/s1
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230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095045
PNG
(CHEMBL91463 | {2-[2-(4-Chloro-phenyl)-1H-indol-3-y...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2/c1-3-22(2)13-12-17-16-6-4-5-7-18(16)21-19(17)14-8-10-15(20)11-9-14/h4-11,21H,3,12-13H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095031
PNG
(2-Phenyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | C...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
Show InChI InChI=1S/C20H22N2/c1-2-8-16(9-3-1)20-18(12-15-22-13-6-7-14-22)17-10-4-5-11-19(17)21-20/h1-5,8-11,21H,6-7,12-15H2
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260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
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268n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095047
PNG
(3-[2-((S)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...)
Show SMILES C[C@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m0/s1
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290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
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896n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095032
PNG
(3-(2-Azetidin-1-yl-ethyl)-2-phenyl-1H-indole | CHE...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCC1
Show InChI InChI=1S/C19H20N2/c1-2-7-15(8-3-1)19-17(11-14-21-12-6-13-21)16-9-4-5-10-18(16)20-19/h1-5,7-10,20H,6,11-14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
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