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Compile Data Set for Download or QSAR

Found 2789 hits with Last Name = 'beer' and Initial = 'm'   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079161
PNG
(5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(C)c2)CC1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079175
PNG
(1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1
Show InChI InChI=1S/C22H24ClN3O/c1-16-21(18-7-3-2-4-8-18)24-22(27)26(16)20-10-12-25(13-11-20)15-17-6-5-9-19(23)14-17/h2-9,14,20H,10-13,15H2,1H3,(H,24,27)
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0.460n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM93624
PNG
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)
Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079177
PNG
(5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(CCc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-18-22(20-10-6-3-7-11-20)24-23(27)26(18)21-13-16-25(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,24,27)
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0.560n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139355
PNG
(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.050
BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079173
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-17-21(19-10-6-3-7-11-19)23-22(26)25(17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,23,26)
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329746
PNG
(CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...)
Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/s2
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0.600n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079153
PNG
(1-[1-(3-Methoxy-benzyl)-piperidin-4-yl]-5-methyl-4...)
Show SMILES COc1cccc(CN2CCC(CC2)n2c(C)c([nH]c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139351
PNG
(2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethan...)
Show SMILES CN(C)CCSc1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.050
BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079159
PNG
(1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O/c1-16-21(18-7-9-19(23)10-8-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,24,27)
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0.710n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079181
PNG
(1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-...)
Show SMILES Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27N3O/c1-18-22(20-11-7-4-8-12-20)24(2)23(27)26(18)21-13-15-25(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,13-17H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079158
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-...)
Show SMILES Cn1c(cn(C2CCN(Cc3ccccc3)CC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-23-21(19-10-6-3-7-11-19)17-25(22(23)26)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3
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0.840n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079169
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-d...)
Show SMILES CCc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-2-21-22(19-11-7-4-8-12-19)24-23(27)26(21)20-13-15-25(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,27)
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0.860n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079171
PNG
(3-[4-(5-Methyl-2-oxo-4-phenyl-2,3-dihydro-imidazol...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(c2)C#N)CC1)-c1ccccc1
Show InChI InChI=1S/C23H24N4O/c1-17-22(20-8-3-2-4-9-20)25-23(28)27(17)21-10-12-26(13-11-21)16-19-7-5-6-18(14-19)15-24/h2-9,14,21H,10-13,16H2,1H3,(H,25,28)
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0.960n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079182
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1cccs1
Show InChI InChI=1S/C20H23N3OS/c1-15-19(18-8-5-13-25-18)21-20(24)23(15)17-9-11-22(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14H2,1H3,(H,21,24)
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1n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329748
PNG
(CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...)
Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/s2
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1n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082406
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082405
PNG
(1-phenoxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c27-20(17-28-21-7-2-1-3-8-21)16-26-14-12-25(13-15-26)24-11-10-19-6-4-5-9-22(19)23(24)18-29-25/h1-11,20,27H,12-18H2/t20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079164
PNG
(1-(1-Benzyl-piperidin-4-yl)-4-(2-chloro-phenyl)-5-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O/c1-16-21(19-9-5-6-10-20(19)23)24-22(27)26(16)18-11-13-25(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079162
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-p-tolyl-1,3...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H27N3O/c1-17-8-10-20(11-9-17)22-18(2)26(23(27)24-22)21-12-14-25(15-13-21)16-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,24,27)
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
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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 towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.050
BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079172
PNG
(1-[1-(4-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccc(Cl)cc2)CC1)-c1ccccc1
Show InChI InChI=1S/C22H24ClN3O/c1-16-21(18-5-3-2-4-6-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-7-9-19(23)10-8-17/h2-10,20H,11-15H2,1H3,(H,24,27)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082413
PNG
(1-(3-ethylphenoxy)-3-spiro[1,3-dihydrobenzo[e]isob...)
Show SMILES CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
Show InChI InChI=1S/C27H31NO3/c1-2-20-6-5-8-23(16-20)30-18-22(29)17-28-14-12-27(13-15-28)26-11-10-21-7-3-4-9-24(21)25(26)19-31-27/h3-11,16,22,29H,2,12-15,17-19H2,1H3/t22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079155
PNG
(1-(1-Benzyl-piperidin-4-yl)-4-(4-fluoro-phenyl)-5-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O/c1-16-21(18-7-9-19(23)10-8-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,24,27)
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079174
PNG
(1-(1-Cyclohexylmethyl-piperidin-4-yl)-5-methyl-4-p...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(CC2CCCCC2)CC1)-c1ccccc1
Show InChI InChI=1S/C22H31N3O/c1-17-21(19-10-6-3-7-11-19)23-22(26)25(17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,26)
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2n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329745
PNG
(CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C
Show InChI InChI=1/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/s2
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2n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079163
PNG
(1-[1-(2-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1
Show InChI InChI=1S/C22H24ClN3O/c1-16-21(17-7-3-2-4-8-17)24-22(27)26(16)19-11-13-25(14-12-19)15-18-9-5-6-10-20(18)23/h2-10,19H,11-15H2,1H3,(H,24,27)
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082408
PNG
(1-benzyloxy-3-spiro[1,3-dihydrobenzo[e]isobenzofur...)
Show SMILES OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1/C26H29NO3/c28-22(18-29-17-20-6-2-1-3-7-20)16-27-14-12-26(13-15-27)25-11-10-21-8-4-5-9-23(21)24(25)19-30-26/h1-11,22,28H,12-19H2
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2.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082410
PNG
(4-fluoro-7-[2-hydroxy-3-spiro[1,3-dihydrobenzo[e]i...)
Show SMILES OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1/C28H28FNO4/c29-24-8-10-26(27-21(24)6-9-25(27)32)33-16-19(31)15-30-13-11-28(12-14-30)23-7-5-18-3-1-2-4-20(18)22(23)17-34-28/h1-5,7-8,10,19,31H,6,9,11-17H2
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2.30n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329724
PNG
(CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...)
Show SMILES C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/s2
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2.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
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2.80n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329744
PNG
(CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...)
Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/s2
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3.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50050476
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-p...)
Show SMILES Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329742
PNG
(CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C24H34N4O3/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/s2
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3.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139361
PNG
(2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine...)
Show SMILES CN(C)CCSc1cccc(Br)n1
Show InChI InChI=1S/C9H13BrN2S/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.050
BindingDB Entry DOI: 10.7270/Q2CJ8CWS
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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079179
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-methyl-3,4-diphenyl-...)
Show SMILES Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H29N3O/c1-22-27(24-13-7-3-8-14-24)31(25-15-9-4-10-16-25)28(32)30(22)26-17-19-29(20-18-26)21-23-11-5-2-6-12-23/h2-16,26H,17-21H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50079167
PNG
(1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-pyridin-2-y...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccn1
Show InChI InChI=1S/C21H24N4O/c1-16-20(19-9-5-6-12-22-19)23-21(26)25(16)18-10-13-24(14-11-18)15-17-7-3-2-4-8-17/h2-9,12,18H,10-11,13-15H2,1H3,(H,23,26)
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4.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines


J Med Chem 42: 2706-15 (1999)


Article DOI: 10.1021/jm991029k
BindingDB Entry DOI: 10.7270/Q2P55MPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329741
PNG
(CHEMBL1271628 | endo-2-((S)-3-ethylmorpholino)-N-(...)
Show SMILES CC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C23H32N4O3/c1-3-16-14-29-11-10-27(16)23-25-21-19(8-5-9-20(21)30-23)22(28)24-15-12-17-6-4-7-18(13-15)26(17)2/h5,8-9,15-18H,3-4,6-7,10-14H2,1-2H3,(H,24,28)/t16-,17+,18+/s2
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4.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329730
PNG
((S)-2-amino-6-chloro-N-(quinuclidin-3-yl)benzo[d]o...)
Show SMILES Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C15H17ClN4O2/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21)/t11-/s2
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4.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50329743
PNG
(CHEMBL1271677 | endo-2-((S)-3-isopropylmorpholino)...)
Show SMILES CC(C)[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1/C24H34N4O3/c1-15(2)20-14-30-11-10-28(20)24-26-22-19(8-5-9-21(22)31-24)23(29)25-16-12-17-6-4-7-18(13-16)27(17)3/h5,8-9,15-18,20H,4,6-7,10-14H2,1-3H3,(H,25,29)/t17-,18-,20-/s2
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5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human HT3A receptor


Bioorg Med Chem Lett 20: 6538-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH
More data for this
Ligand-Target Pair
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