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Compile Data Set for Download or QSAR

Found 374 hits Enz. Inhib. hit(s) with all data for entry = 50014636   
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(3) dopamine receptor


(Homo sapiens)
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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0.269n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
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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0.270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.510n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.513n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
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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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
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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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D1 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D1 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578337
PNG
(CHEMBL4862770)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578337
PNG
(CHEMBL4862770)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578339
PNG
(CHEMBL4875081)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578339
PNG
(CHEMBL4875081)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578326
PNG
(CHEMBL4857759)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578326
PNG
(CHEMBL4857759)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
PDB

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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578333
PNG
(CHEMBL4862890)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578333
PNG
(CHEMBL4862890)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50578335
PNG
(CHEMBL4863832)
Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


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


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


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


TBA

Assay Description
Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


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


TBA

Assay Description
Displacement of [3H]-SCH23390 from D4 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578324
PNG
(CHEMBL4874021)
Show SMILES COc1ccc(F)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
PDB

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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578324
PNG
(CHEMBL4874021)
Show SMILES COc1ccc(F)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
PDB

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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


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


TBA

Assay Description
Displacement of [3H]-SCH23390 from D4 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578323
PNG
(CHEMBL4864436)
Show SMILES COc1ccc(F)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578323
PNG
(CHEMBL4864436)
Show SMILES COc1ccc(F)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578337
PNG
(CHEMBL4862770)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
PDB

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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578337
PNG
(CHEMBL4862770)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
PDB

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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578338
PNG
(CHEMBL4876116)
Show SMILES COc1ccc(Cl)cc1[C@@H]1C[C@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578338
PNG
(CHEMBL4876116)
Show SMILES COc1ccc(Cl)cc1[C@@H]1C[C@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578328
PNG
(CHEMBL4846472)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
PDB

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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578339
PNG
(CHEMBL4875081)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50578339
PNG
(CHEMBL4875081)
Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation cou...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578328
PNG
(CHEMBL4846472)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
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