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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'herenbrink' and Initial = 'ck'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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8n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from dopamine D2L receptor (unknown origin) expressed in CHO cell membranes


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443100
PNG
(CHEMBL3085820)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(21.57,-16.54,;20.24,-15.77,;20.24,-14.23,;21.57,-14.99,;18.91,-16.54,;17.57,-15.77,;17.58,-14.23,;16.24,-16.54,;14.91,-15.77,;13.57,-16.53,;12.24,-15.77,;12.24,-14.22,;10.91,-13.45,;9.58,-14.23,;8.24,-13.46,;7.06,-14.44,;5.55,-14.13,;4.84,-12.77,;5.48,-11.37,;6.98,-10.99,;8.2,-11.92,;4.73,-10.03,;5.52,-8.71,;4.77,-7.37,;3.23,-7.34,;2.44,-8.68,;.9,-8.66,;3.19,-10.01,;2.41,-11.34,;13.57,-13.45,;14.91,-14.23,)|
Show InChI InChI=1S/C24H37Cl2N3O2/c1-24(2,3)31-23(30)27-19-10-8-18(9-11-19)12-15-28-13-5-14-29(17-16-28)21-7-4-6-20(25)22(21)26/h4,6-7,18-19H,5,8-17H2,1-3H3,(H,27,30)/t18-,19-
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10n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443102
PNG
(CHEMBL3085819)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1 |r,wU:4.3,wD:7.7,(83.78,-17.14,;82.45,-16.37,;82.45,-14.83,;81.11,-17.14,;79.78,-16.37,;78.44,-17.13,;77.12,-16.37,;77.12,-14.82,;75.78,-14.05,;74.45,-14.83,;73.12,-14.06,;73.11,-12.51,;71.76,-11.73,;70.43,-12.52,;69.09,-11.76,;67.76,-12.53,;67.76,-14.07,;69.1,-14.84,;70.43,-14.07,;71.77,-14.84,;66.43,-14.84,;65.1,-15.61,;78.44,-14.05,;79.78,-14.83,)|
Show InChI InChI=1S/C20H27N3O/c1-15(24)22-20-6-3-16(4-7-20)8-10-23-11-9-18-5-2-17(13-21)12-19(18)14-23/h2,5,12,16,20H,3-4,6-11,14H2,1H3,(H,22,24)/t16-,20-
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23n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443096
PNG
(CHEMBL3085824)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:11.11,8.7,(46.33,-48.72,;44.99,-47.94,;45,-46.4,;46.32,-47.16,;43.66,-48.71,;42.33,-47.94,;42.33,-46.4,;40.99,-48.71,;39.66,-47.94,;39.66,-46.4,;38.32,-45.62,;37,-46.39,;35.66,-45.63,;34.33,-46.4,;32.99,-45.63,;31.65,-46.41,;30.31,-45.64,;30.3,-44.09,;31.64,-43.3,;32.99,-44.08,;28.96,-43.33,;27.64,-44.11,;26.31,-43.35,;26.29,-41.81,;27.62,-41.03,;27.61,-39.49,;28.96,-41.79,;30.29,-41.01,;37,-47.94,;38.32,-48.71,)|
Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18+
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33n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443099
PNG
(CHEMBL3085821)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)|
Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-
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40n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443095
PNG
(CHEMBL3085825)
Show SMILES CN(C)C(=O)NC[C@H]1CC[C@H](CN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(22.23,-54.77,;22.23,-53.23,;23.56,-52.46,;20.9,-52.46,;20.9,-50.92,;19.56,-53.23,;18.23,-52.45,;16.9,-53.22,;16.89,-54.76,;15.56,-55.53,;14.24,-54.76,;12.9,-55.53,;11.57,-54.77,;10.22,-55.55,;8.88,-54.78,;8.88,-53.22,;10.21,-52.44,;11.56,-53.21,;7.54,-52.46,;6.22,-53.24,;4.88,-52.49,;4.87,-50.94,;6.2,-50.16,;6.19,-48.62,;7.53,-50.92,;8.86,-50.15,;14.22,-53.22,;15.56,-52.45,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-14-16-6-8-17(9-7-16)15-26-10-12-27(13-11-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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76n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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76n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443094
PNG
(CHEMBL3085826)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:9.9,6.5,(22.51,-13.91,;22.51,-12.38,;23.84,-11.62,;21.19,-11.62,;21.19,-10.08,;19.86,-12.39,;18.53,-11.62,;18.52,-10.07,;17.19,-9.3,;15.86,-10.07,;14.53,-9.3,;13.19,-10.08,;11.86,-9.31,;11.85,-7.76,;10.5,-6.98,;9.16,-7.77,;9.17,-9.32,;10.51,-10.09,;7.84,-7.01,;6.53,-7.79,;5.2,-7.04,;5.19,-5.5,;6.51,-4.73,;6.5,-3.21,;7.83,-5.49,;9.15,-4.72,;15.86,-11.62,;17.19,-12.38,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17+
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102n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443097
PNG
(CHEMBL3085823)
Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:9.8,wD:12.12,(19.89,-41.8,;18.56,-41.03,;18.56,-39.49,;19.88,-40.25,;17.22,-41.8,;15.89,-41.03,;15.89,-39.49,;14.55,-41.8,;13.22,-41.03,;11.89,-41.79,;11.88,-43.34,;10.56,-44.1,;9.23,-43.33,;7.9,-44.1,;6.56,-43.34,;5.22,-44.12,;3.87,-43.35,;3.87,-41.79,;5.2,-41.01,;6.55,-41.78,;2.53,-41.03,;1.21,-41.81,;-.14,-41.06,;-.15,-39.51,;1.19,-38.73,;1.18,-37.19,;2.52,-39.49,;3.85,-38.72,;9.21,-41.79,;10.55,-41.02,)|
Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-15-17-7-9-18(10-8-17)16-27-11-13-28(14-12-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-
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148n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443110
PNG
(CHEMBL3088215)
Show SMILES CC(C)(C)NC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:8.7,wD:11.11,(27.14,-18.72,;25.8,-17.95,;25.81,-16.41,;27.13,-17.16,;24.47,-18.72,;23.14,-17.95,;23.14,-16.41,;21.8,-18.71,;20.47,-17.94,;19.14,-18.71,;17.81,-17.94,;17.81,-16.4,;16.48,-15.63,;15.14,-16.4,;13.81,-15.64,;13.8,-14.08,;12.45,-13.31,;11.12,-14.09,;9.78,-13.33,;8.45,-14.1,;8.45,-15.64,;9.79,-16.41,;11.12,-15.65,;12.47,-16.42,;19.14,-15.63,;20.47,-16.4,)|
Show InChI InChI=1S/C22H35N3O/c1-22(2,3)24-21(26)23-20-10-8-17(9-11-20)12-14-25-15-13-18-6-4-5-7-19(18)16-25/h4-7,17,20H,8-16H2,1-3H3,(H2,23,24,26)/t17-,20-
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245n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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273n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443098
PNG
(CHEMBL3085822)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(64.87,-37.19,;63.54,-37.96,;63.54,-39.5,;64.87,-38.73,;62.21,-37.19,;60.87,-37.96,;60.87,-39.5,;59.54,-37.19,;58.2,-37.96,;58.2,-39.5,;56.87,-40.26,;55.54,-39.49,;54.21,-40.27,;52.88,-39.5,;51.53,-40.28,;50.19,-39.51,;50.18,-37.96,;51.52,-37.17,;52.87,-37.95,;48.84,-37.19,;47.53,-37.97,;46.19,-37.22,;46.17,-35.67,;47.5,-34.89,;47.49,-33.35,;48.84,-35.65,;50.17,-34.88,;55.53,-37.96,;56.87,-37.19,)|
Show InChI InChI=1S/C22H33Cl2N3O2/c1-22(2,3)29-21(28)25-17-9-7-16(8-10-17)15-26-11-13-27(14-12-26)19-6-4-5-18(23)20(19)24/h4-6,16-17H,7-15H2,1-3H3,(H,25,28)/t16-,17-
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309n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443109
PNG
(CHEMBL3085812)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 |r,wU:8.7,wD:11.11,(40.16,-26.82,;38.83,-27.59,;38.82,-29.13,;40.15,-28.35,;37.49,-26.82,;36.16,-27.58,;36.16,-29.12,;34.83,-26.81,;33.49,-27.58,;33.49,-29.12,;32.16,-29.89,;30.83,-29.12,;29.5,-29.89,;28.17,-29.12,;28.16,-27.57,;26.81,-26.79,;25.47,-27.58,;24.14,-26.82,;22.81,-27.59,;22.81,-29.13,;24.14,-29.9,;25.48,-29.14,;26.82,-29.9,;30.82,-27.58,;32.16,-26.81,)|
Show InChI InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)22-19-10-8-16(9-11-19)14-23-13-12-17-6-4-5-7-18(17)15-23/h4-7,16,19H,8-15H2,1-3H3,(H,22,24)/t16-,19-
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355n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443104
PNG
(CHEMBL3085817)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)[N+]([O-])=O)CC1 |r,wU:8.7,wD:11.11,(46.09,-5.69,;44.75,-4.92,;44.76,-3.38,;46.08,-4.14,;43.42,-5.69,;42.09,-4.92,;42.09,-3.38,;40.75,-5.68,;39.42,-4.91,;38.09,-5.68,;36.76,-4.92,;36.76,-3.37,;35.43,-2.6,;34.09,-3.37,;32.76,-2.61,;32.75,-1.05,;31.4,-.28,;30.07,-1.07,;28.73,-.3,;27.41,-1.07,;27.4,-2.62,;28.74,-3.39,;30.07,-2.62,;31.42,-3.39,;26.07,-3.38,;24.73,-2.62,;26.06,-4.93,;38.09,-2.6,;39.42,-3.37,)|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)29-21(26)23-19-7-4-16(5-8-19)10-12-24-13-11-17-6-9-20(25(27)28)14-18(17)15-24/h6,9,14,16,19H,4-5,7-8,10-13,15H2,1-3H3,(H,23,26)/t16-,19-
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380n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443106
PNG
(CHEMBL3085815)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-22(2,3)26-21(25)23-20-10-8-17(9-11-20)12-14-24-15-13-18-6-4-5-7-19(18)16-24/h4-11H,12-16H2,1-3H3,(H,23,25)
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550n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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562n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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568n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443115
PNG
(CHEMBL3088209)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:8.7,wD:11.11,(20.78,-5.67,;19.45,-4.9,;19.45,-3.37,;20.78,-4.12,;18.12,-5.67,;16.79,-4.9,;16.79,-3.36,;15.45,-5.67,;14.12,-4.9,;12.78,-5.66,;11.46,-4.9,;11.46,-3.35,;10.12,-2.59,;8.79,-3.36,;7.46,-2.59,;7.45,-1.04,;6.1,-.26,;4.77,-1.05,;3.43,-.29,;2.1,-1.06,;2.1,-2.6,;3.44,-3.37,;4.77,-2.6,;6.11,-3.37,;12.78,-2.58,;14.12,-3.36,)|
Show InChI InChI=1S/C22H34N2O2/c1-22(2,3)26-21(25)23-20-10-8-17(9-11-20)12-14-24-15-13-18-6-4-5-7-19(18)16-24/h4-7,17,20H,8-16H2,1-3H3,(H,23,25)/t17-,20-
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741n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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832n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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834n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443112
PNG
(CHEMBL3088214)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1)Oc1ccccc1 |r,wU:3.2,wD:6.6,(14.66,-26.63,;14.66,-28.17,;13.32,-28.94,;11.99,-28.16,;10.66,-28.93,;9.33,-28.17,;9.33,-26.62,;8,-25.85,;6.67,-26.63,;5.33,-25.86,;5.33,-24.31,;3.98,-23.53,;2.64,-24.32,;1.31,-23.56,;-.03,-24.33,;-.03,-25.87,;1.31,-26.64,;2.65,-25.87,;3.99,-26.64,;10.66,-25.85,;11.99,-26.62,;15.99,-28.94,;17.32,-28.17,;18.64,-28.95,;19.98,-28.18,;19.98,-26.64,;18.64,-25.87,;17.31,-26.64,)|
Show InChI InChI=1S/C24H30N2O2/c27-24(28-23-8-2-1-3-9-23)25-22-12-10-19(11-13-22)14-16-26-17-15-20-6-4-5-7-21(20)18-26/h1-9,19,22H,10-18H2,(H,25,27)/t19-,22-
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912n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443111
PNG
(CHEMBL3085802)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:6.5,wD:9.9,(22.14,-9.89,;22.14,-8.35,;23.47,-7.58,;20.81,-7.58,;20.81,-6.04,;19.47,-8.34,;18.14,-7.57,;16.81,-8.34,;15.48,-7.57,;15.48,-6.03,;14.14,-5.26,;12.81,-6.03,;11.48,-5.27,;11.47,-3.71,;10.12,-2.94,;8.79,-3.72,;7.45,-2.96,;6.12,-3.73,;6.12,-5.28,;7.45,-6.05,;8.79,-5.28,;10.13,-6.05,;16.8,-5.26,;18.14,-6.03,)|
Show InChI InChI=1S/C20H31N3O/c1-22(2)20(24)21-19-9-7-16(8-10-19)11-13-23-14-12-17-5-3-4-6-18(17)15-23/h3-6,16,19H,7-15H2,1-2H3,(H,21,24)/t16-,19-
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1.00E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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1.04E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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1.05E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443107
PNG
(CHEMBL3085814)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:11.11,8.7,(18.8,-35.27,;17.47,-34.5,;17.47,-32.96,;18.8,-33.72,;16.14,-35.27,;14.81,-34.5,;14.81,-32.96,;13.47,-35.27,;12.14,-34.49,;12.14,-32.95,;10.8,-32.18,;9.48,-32.95,;8.14,-32.18,;6.81,-32.95,;5.48,-32.19,;5.47,-30.63,;4.12,-29.86,;2.78,-30.65,;1.45,-29.88,;.12,-30.65,;.12,-32.2,;1.45,-32.97,;2.79,-32.2,;4.13,-32.97,;9.48,-34.5,;10.8,-35.26,)|
Show InChI InChI=1S/C22H34N2O2/c1-22(2,3)26-21(25)23-20-10-8-17(9-11-20)12-14-24-15-13-18-6-4-5-7-19(18)16-24/h4-7,17,20H,8-16H2,1-3H3,(H,23,25)/t17-,20+
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1.07E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443108
PNG
(CHEMBL3085813)
Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 |r,wU:9.8,wD:12.12,(62.9,-29.62,;61.57,-28.85,;61.57,-27.31,;62.89,-28.07,;60.24,-29.61,;58.9,-28.84,;58.9,-27.3,;57.57,-29.61,;56.24,-28.84,;54.9,-29.61,;54.9,-31.15,;53.57,-31.92,;52.24,-31.14,;50.91,-31.92,;49.57,-31.15,;49.57,-29.6,;48.22,-28.82,;46.88,-29.61,;45.55,-28.84,;44.22,-29.61,;44.22,-31.16,;45.55,-31.93,;46.89,-31.16,;48.23,-31.93,;52.23,-29.61,;53.57,-28.84,)|
Show InChI InChI=1S/C22H34N2O2/c1-22(2,3)26-21(25)23-14-17-8-10-18(11-9-17)15-24-13-12-19-6-4-5-7-20(19)16-24/h4-7,17-18H,8-16H2,1-3H3,(H,23,25)/t17-,18-
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1.15E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443114
PNG
(CHEMBL3088212)
Show SMILES CC(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:7.6,wD:10.10,(43.7,-24.09,;42.37,-23.32,;42.37,-21.78,;41.04,-24.09,;39.7,-23.32,;39.71,-21.78,;38.37,-24.09,;37.04,-23.31,;35.7,-24.08,;34.38,-23.32,;34.38,-21.77,;33.04,-21,;31.71,-21.78,;30.38,-21.01,;30.37,-19.46,;29.02,-18.68,;27.68,-19.47,;26.35,-18.7,;25.02,-19.47,;25.02,-21.02,;26.35,-21.79,;27.69,-21.02,;29.03,-21.79,;35.7,-21,;37.04,-21.77,)|
Show InChI InChI=1S/C21H32N2O2/c1-16(2)25-21(24)22-20-9-7-17(8-10-20)11-13-23-14-12-18-5-3-4-6-19(18)15-23/h3-6,16-17,20H,7-15H2,1-2H3,(H,22,24)/t17-,20-
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1.48E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443103
PNG
(CHEMBL3085818)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1 |r,wU:8.7,wD:11.11,(68.63,-8.94,;67.3,-8.17,;67.3,-6.63,;68.62,-7.38,;65.97,-8.94,;64.63,-8.17,;64.64,-6.63,;63.3,-8.93,;61.97,-8.16,;60.63,-8.93,;59.31,-8.16,;59.31,-6.62,;57.97,-5.85,;56.64,-6.62,;55.31,-5.86,;55.3,-4.3,;53.95,-3.53,;52.61,-4.31,;51.28,-3.55,;49.95,-4.32,;49.95,-5.86,;51.28,-6.64,;52.62,-5.87,;53.96,-6.64,;48.62,-6.63,;47.28,-7.41,;60.63,-5.85,;61.97,-6.62,)|
Show InChI InChI=1S/C23H33N3O2/c1-23(2,3)28-22(27)25-21-8-5-17(6-9-21)10-12-26-13-11-19-7-4-18(15-24)14-20(19)16-26/h4,7,14,17,21H,5-6,8-13,16H2,1-3H3,(H,25,27)/t17-,21-
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2.24E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443116
PNG
(CHEMBL3088211)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:6.5,wD:9.9,(19.11,-22.68,;17.77,-21.91,;16.44,-22.68,;15.11,-21.91,;15.11,-20.37,;13.77,-22.68,;12.44,-21.91,;11.11,-22.67,;9.78,-21.91,;9.78,-20.36,;8.45,-19.6,;7.11,-20.37,;5.78,-19.6,;5.77,-18.05,;4.42,-17.27,;3.09,-18.06,;1.75,-17.3,;.42,-18.07,;.42,-19.61,;1.76,-20.38,;3.09,-19.61,;4.44,-20.38,;11.11,-19.59,;12.44,-20.37,)|
Show InChI InChI=1S/C20H30N2O2/c1-2-24-20(23)21-19-9-7-16(8-10-19)11-13-22-14-12-17-5-3-4-6-18(17)15-22/h3-6,16,19H,2,7-15H2,1H3,(H,21,23)/t16-,19-
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2.69E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443113
PNG
(CHEMBL3088213)
Show SMILES CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:8.7,wD:11.11,(67.83,-26.87,;67.83,-25.33,;69.17,-24.56,;66.5,-24.56,;65.17,-25.33,;63.83,-24.56,;63.84,-23.02,;62.5,-25.33,;61.17,-24.55,;59.83,-25.32,;58.51,-24.55,;58.51,-23.01,;57.17,-22.24,;55.84,-23.01,;54.5,-22.25,;54.5,-20.69,;53.15,-19.92,;51.81,-20.7,;50.48,-19.94,;49.15,-20.71,;49.15,-22.26,;50.48,-23.03,;51.82,-22.26,;53.16,-23.03,;59.83,-22.24,;61.17,-23.01,)|
Show InChI InChI=1S/C22H34N2O2/c1-17(2)16-26-22(25)23-21-9-7-18(8-10-21)11-13-24-14-12-19-5-3-4-6-20(19)15-24/h3-6,17-18,21H,7-16H2,1-2H3,(H,23,25)/t18-,21-
PDB

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PubMed
5.25E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443117
PNG
(CHEMBL3088210)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:4.3,wD:7.7,(62.08,-16.95,;60.75,-16.17,;60.75,-14.63,;59.42,-16.94,;58.08,-16.17,;56.75,-16.94,;55.42,-16.17,;55.42,-14.62,;54.09,-13.86,;52.76,-14.63,;51.42,-13.87,;51.41,-12.31,;50.06,-11.54,;48.73,-12.32,;47.39,-11.56,;46.07,-12.33,;46.06,-13.87,;47.4,-14.64,;48.73,-13.88,;50.08,-14.64,;56.75,-13.86,;58.08,-14.63,)|
Show InChI InChI=1S/C19H28N2O/c1-15(22)20-19-8-6-16(7-9-19)10-12-21-13-11-17-4-2-3-5-18(17)14-21/h2-5,16,19H,6-14H2,1H3,(H,20,22)/t16-,19-
PDB

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PubMed
6.03E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443105
PNG
(CHEMBL3085816)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 |r,wU:9.9,6.5,(28.75,-11.98,;28.75,-10.46,;30.08,-9.7,;27.43,-9.69,;27.44,-8.15,;26.1,-10.46,;24.77,-9.69,;24.77,-8.15,;23.43,-7.38,;22.11,-8.14,;20.77,-7.38,;19.44,-8.15,;18.11,-7.39,;18.1,-5.83,;16.75,-5.06,;15.41,-5.84,;14.08,-5.08,;12.75,-5.85,;12.75,-7.39,;14.08,-8.16,;15.42,-7.4,;16.76,-8.16,;22.11,-9.69,;23.43,-10.46,)|
Show InChI InChI=1S/C20H31N3O/c1-22(2)20(24)21-19-9-7-16(8-10-19)11-13-23-14-12-17-5-3-4-6-18(17)15-23/h3-6,16,19H,7-15H2,1-2H3,(H,21,24)/t16-,19+
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PubMed
1.35E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
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