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PubMed code 28495386

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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 (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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 0.270n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 0.310n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 0.310n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
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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 0.410n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
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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 0.470n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 1.20n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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 2.40n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 3.5n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 21n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


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



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 39n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) 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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 110n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 150n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 160n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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 200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 270n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 430n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 430n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 520n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 860n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 1.60E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) 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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 2.10E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 2.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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 2.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 3.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50267792
PNG
(CHEMBL4064974)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C24H30FN5O2/c25-10-18-32-23-9-2-1-8-22(23)29-16-14-28(15-17-29)12-6-4-11-26-24(31)21-19-20-7-3-5-13-30(20)27-21/h1-3,5,7-9,13,19H,4,6,10-12,14-18H2,(H,26,31)
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 3.80E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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 4.00E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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 4.50E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 4.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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 5.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 5.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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 6.30E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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 7.10E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50267793
PNG
(CHEMBL4085920)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-30-20(25(26,27)28)17-21(31-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)19-16-18-8-4-6-11-35(18)32-19/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
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 7.50E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) 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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 7.90E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50267795
PNG
(CHEMBL4096858)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50267794
PNG
(CHEMBL4060837)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1
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>5.00E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes

Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
BindingDB Entry DOI: 10.7270/Q2KW5JH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%