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Compile Data Set for Download or QSAR

Found 350 hits with Last Name = 'prante' and Initial = 'o'   
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))
BDBM50331552
PNG
(CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r|
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
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))
BDBM50203821
PNG
(CHEMBL374749 | biphenyl-4-carboxylic acid {4-[4-(2...)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-25-10-4-5-11-26(25)31-20-18-30(19-21-31)17-7-6-16-29-27(32)24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,29,32)
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0.280n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132057
PNG
(CHEMBL1180430 | CHEMBL126128 | N-{4-[4-(2-Methoxy-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+
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0.330n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132069
PNG
(3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.340n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50203819
PNG
(4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)
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0.370n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.440n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50203820
PNG
(4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)
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0.450n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
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))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.5n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.5n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.510n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172859
PNG
(CHEMBL196744 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
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0.530n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149710
PNG
(5-Iodo-benzo[b]thiophene-2-carboxylic acid {4-[4-(...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1
Show InChI InChI=1S/C24H28IN3O2S/c1-30-21-7-3-2-6-20(21)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-22(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
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0.860n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50443382
PNG
(CHEMBL3086356)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |r,wU:42.45,49.53,44.48,wD:51.56,47.51,TLB:65:64:62:58.59.60,66:56:62:58.59.60,THB:55:56:62:58.59.60,65:59:56.64.63:62,60:59:56:63.61.62,60:61:56:58.65.59,66:56:58.65.59:63.61.62,(23.2,-13.51,;23.55,-12.01,;22.43,-10.95,;20.95,-11.39,;19.84,-10.33,;20.2,-8.83,;21.67,-8.39,;22.03,-6.89,;20.91,-5.84,;22.79,-9.45,;24.27,-9,;24.78,-7.54,;26.32,-7.58,;26.76,-9.05,;25.49,-9.93,;25.46,-11.47,;24.11,-12.2,;24.07,-13.74,;25.39,-14.54,;26.74,-13.79,;26.77,-12.26,;28.12,-11.51,;29.44,-12.3,;28.14,-9.97,;25.36,-16.08,;24.01,-16.83,;26.68,-16.88,;26.65,-18.42,;28.03,-16.13,;29.34,-16.93,;30.69,-16.19,;32.01,-16.98,;31.98,-18.52,;33.36,-16.24,;34.68,-17.04,;36.03,-16.29,;37.34,-17.09,;38.69,-16.35,;40.09,-17,;41.14,-15.87,;40.39,-14.52,;38.88,-14.81,;42.67,-16.06,;43.26,-17.49,;44.78,-17.68,;45.37,-19.1,;44.44,-20.33,;45.72,-16.46,;47.24,-16.65,;45.12,-15.04,;46.06,-13.81,;43.59,-14.84,;42.99,-13.42,;27.25,-6.35,;26.65,-4.93,;28.78,-6.55,;29.78,-5.37,;30.51,-3.78,;31.92,-3.82,;33.14,-3.05,;32.66,-1.59,;31.15,-1.49,;30.03,-2.38,;30.55,-2.99,;31.07,-4.49,;32.59,-4.58,;30.81,-6.52,;32.31,-6.2,;30.33,-7.98,)|
Show InChI InChI=1S/C50H67FN8O10/c1-28(2)35-24-31(47(64)57(4)18-10-17-56(3)16-8-7-11-34-26-58(55-53-34)48-43(51)45(62)44(61)41(27-60)69-48)14-15-37(35)59-38(42-39(67-5)12-9-13-40(42)68-6)25-36(54-59)46(63)52-50(49(65)66)32-20-29-19-30(22-32)23-33(50)21-29/h9,12-15,24-26,28-30,32-33,41,43-45,48,60-62H,7-8,10-11,16-23,27H2,1-6H3,(H,52,63)(H,65,66)/t29?,30?,32?,33?,41-,43-,44-,45-,48-,50?/m1/s1
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0.980n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50149710
PNG
(5-Iodo-benzo[b]thiophene-2-carboxylic acid {4-[4-(...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1
Show InChI InChI=1S/C24H28IN3O2S/c1-30-21-7-3-2-6-20(21)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-22(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
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1n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D2 short receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172863
PNG
(CHEMBL197162 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl2FN4O/c21-16-4-3-5-17(19(16)22)27-12-10-26(11-13-27)9-2-1-8-24-20(28)15-6-7-18(23)25-14-15/h3-7,14H,1-2,8-13H2,(H,24,28)
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1.10n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
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))
BDBM50149708
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
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1.40n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149709
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2,3-dich...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)s3)CC2)c1Cl
Show InChI InChI=1S/C19H22Cl2IN3OS/c20-14-4-3-5-15(18(14)21)25-12-10-24(11-13-25)9-2-1-8-23-19(26)16-6-7-17(22)27-16/h3-7H,1-2,8-13H2,(H,23,26)
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1.40n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
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2.40n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
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(4) dopamine receptor


(RAT)
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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2.60n/an/an/an/an/an/an/an/a



Forschungszentrum J£lich GmbH

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor in Wistar rat brain slices


J Med Chem 54: 8343-52 (2011)


Article DOI: 10.1021/jm200762g
BindingDB Entry DOI: 10.7270/Q2W096B2
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172865
PNG
(4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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4.30n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149712
PNG
(5-Iodo-benzo[b]thiophene-2-carboxylic acid {4-[4-(...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3OS/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
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4.5n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149707
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
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5.70n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50331552
PNG
(CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r|
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172864
PNG
(6-Fluoro-pyridine-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Fc1cccc(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl2FN4O/c21-15-5-3-7-17(19(15)22)27-13-11-26(12-14-27)10-2-1-9-24-20(28)16-6-4-8-18(23)25-16/h3-8H,1-2,9-14H2,(H,24,28)
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9n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50172860
PNG
(4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H28FN3O3S/c1-28-21-7-3-2-6-20(21)25-16-14-24(15-17-25)13-5-4-12-23-29(26,27)19-10-8-18(22)9-11-19/h2-3,6-11,23H,4-5,12-17H2,1H3
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9.90n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D 4.4 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
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10n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT1A receptor from porcine cortical membranes using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50203820
PNG
(4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)
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12n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2(short) expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132057
PNG
(CHEMBL1180430 | CHEMBL126128 | N-{4-[4-(2-Methoxy-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+
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13.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172861
PNG
(6-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1
Show InChI InChI=1S/C21H27FN4O2/c1-28-19-7-3-2-6-18(19)26-14-12-25(13-15-26)11-5-4-10-23-21(27)17-8-9-20(22)24-16-17/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,27)
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14n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50172865
PNG
(4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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15n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT1A receptor using porcine cortical membraneand [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50203820
PNG
(4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)
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15n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2(long) expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50203819
PNG
(4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)
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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172862
PNG
(CHEMBL195247 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2FN3O2S/c21-18-4-3-5-19(20(18)22)26-14-12-25(13-15-26)11-2-1-10-24-29(27,28)17-8-6-16(23)7-9-17/h3-9,24H,1-2,10-15H2
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16n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50203819
PNG
(4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)
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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2(short) expressed in CHO cell membrane


J Med Chem 50: 489-500 (2007)


Article DOI: 10.1021/jm0611152
BindingDB Entry DOI: 10.7270/Q2D21X9M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172859
PNG
(CHEMBL196744 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
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17n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine D2L receptor using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50172862
PNG
(CHEMBL195247 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2FN3O2S/c21-18-4-3-5-19(20(18)22)26-14-12-25(13-15-26)11-2-1-10-24-29(27,28)17-8-6-16(23)7-9-17/h3-9,24H,1-2,10-15H2
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17n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D 4.4 using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172859
PNG
(CHEMBL196744 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
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18n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine D2S receptor using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172863
PNG
(CHEMBL197162 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl2FN4O/c21-16-4-3-5-17(19(16)22)27-12-10-26(11-13-27)9-2-1-8-24-20(28)15-6-7-18(23)25-14-15/h3-7,14H,1-2,8-13H2,(H,24,28)
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21n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine D2L receptor using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132069
PNG
(3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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21n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
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