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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'götz' and Initial = 'a'   
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))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/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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0.350n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/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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0.630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357938
PNG
(CHEMBL1916551)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)C2Cc3ccccc3C2)nn1
Show InChI InChI=1S/C33H47N5O3/c1-4-6-20-38-25-29(35-36-38)14-11-21-41-31-16-15-28(24-32(31)40-3)33(39)34-17-9-10-19-37(18-5-2)30-22-26-12-7-8-13-27(26)23-30/h7-8,12-13,15-16,24-25,30H,4-6,9-11,14,17-23H2,1-3H3,(H,34,39)
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0.710n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
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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1.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357935
PNG
(CHEMBL1916548)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(CC5)c5ccccc5OC)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C61H84N10O6/c1-5-31-68(54-42-49-20-10-11-21-50(49)43-54)32-17-14-30-62-61(72)51-27-29-58(60(44-51)75-4)77-40-19-23-53-47-71(66-64-53)34-16-9-7-6-8-15-33-70-46-52(63-65-70)22-18-39-76-57-28-26-48(41-59(57)74-3)45-67-35-37-69(38-36-67)55-24-12-13-25-56(55)73-2/h10-13,20-21,24-29,41,44,46-47,54H,5-9,14-19,22-23,30-40,42-43,45H2,1-4H3,(H,62,72)
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1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294117
PNG
(2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)H-pyr...)
Show SMILES COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-19-8-3-2-7-18(19)22-12-10-21(11-13-22)15-16-14-17-6-4-5-9-23(17)20-16/h2-9,14H,10-13,15H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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1.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
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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1.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357940
PNG
(CHEMBL1916549)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C66H92N10O6/c1-5-35-73(59-43-51-23-11-12-24-52(51)44-59)37-19-15-33-67-65(77)55-29-31-61(63(47-55)79-3)81-41-21-27-57-49-75(71-69-57)39-17-9-7-8-10-18-40-76-50-58(70-72-76)28-22-42-82-62-32-30-56(48-64(62)80-4)66(78)68-34-16-20-38-74(36-6-2)60-45-53-25-13-14-26-54(53)46-60/h11-14,23-26,29-32,47-50,59-60H,5-10,15-22,27-28,33-46H2,1-4H3,(H,67,77)(H,68,78)
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1.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357937
PNG
(CHEMBL1916552)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)nn1
Show InChI InChI=1S/C32H46N6O4/c1-4-5-18-38-25-27(34-35-38)11-10-23-42-30-15-14-26(24-31(30)41-3)32(39)33-16-8-9-17-36-19-21-37(22-20-36)28-12-6-7-13-29(28)40-2/h6-7,12-15,24-25H,4-5,8-11,16-23H2,1-3H3,(H,33,39)
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
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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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357936
PNG
(CHEMBL1916720)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN4CCN(CC4)c4ccccc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C65H91N11O7/c1-5-34-73(57-45-51-22-10-11-23-52(51)46-57)36-19-15-33-67-65(78)54-29-31-61(63(48-54)81-4)83-44-21-25-56-50-76(71-69-56)38-17-9-7-6-8-16-37-75-49-55(68-70-75)24-20-43-82-60-30-28-53(47-62(60)80-3)64(77)66-32-14-18-35-72-39-41-74(42-40-72)58-26-12-13-27-59(58)79-2/h10-13,22-23,26-31,47-50,57H,5-9,14-21,24-25,32-46H2,1-4H3,(H,66,77)(H,67,78)
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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2.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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2.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294117
PNG
(2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)H-pyr...)
Show SMILES COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-19-8-3-2-7-18(19)22-12-10-21(11-13-22)15-16-14-17-6-4-5-9-23(17)20-16/h2-9,14H,10-13,15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357938
PNG
(CHEMBL1916551)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)C2Cc3ccccc3C2)nn1
Show InChI InChI=1S/C33H47N5O3/c1-4-6-20-38-25-29(35-36-38)14-11-21-41-31-16-15-28(24-32(31)40-3)33(39)34-17-9-10-19-37(18-5-2)30-22-26-12-7-8-13-27(26)23-30/h7-8,12-13,15-16,24-25,30H,4-6,9-11,14,17-23H2,1-3H3,(H,34,39)
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4.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
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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4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) 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



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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6.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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8.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357935
PNG
(CHEMBL1916548)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(CC5)c5ccccc5OC)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C61H84N10O6/c1-5-31-68(54-42-49-20-10-11-21-50(49)43-54)32-17-14-30-62-61(72)51-27-29-58(60(44-51)75-4)77-40-19-23-53-47-71(66-64-53)34-16-9-7-6-8-15-33-70-46-52(63-65-70)22-18-39-76-57-28-26-48(41-59(57)74-3)45-67-35-37-69(38-36-67)55-24-12-13-25-56(55)73-2/h10-13,20-21,24-29,41,44,46-47,54H,5-9,14-19,22-23,30-40,42-43,45H2,1-4H3,(H,62,72)
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8.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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11n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357937
PNG
(CHEMBL1916552)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)nn1
Show InChI InChI=1S/C32H46N6O4/c1-4-5-18-38-25-27(34-35-38)11-10-23-42-30-15-14-26(24-31(30)41-3)32(39)33-16-8-9-17-36-19-21-37(22-20-36)28-12-6-7-13-29(28)40-2/h6-7,12-15,24-25H,4-5,8-11,16-23H2,1-3H3,(H,33,39)
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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 DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357939
PNG
(CHEMBL1916550)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(cc5OC)C(=O)NCCCCN5CCN(CC5)c5ccccc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C64H90N12O8/c1-79-57-25-11-9-23-55(57)73-41-37-71(38-42-73)33-17-13-31-65-63(77)51-27-29-59(61(47-51)81-3)83-45-19-21-53-49-75(69-67-53)35-15-7-5-6-8-16-36-76-50-54(68-70-76)22-20-46-84-60-30-28-52(48-62(60)82-4)64(78)66-32-14-18-34-72-39-43-74(44-40-72)56-24-10-12-26-58(56)80-2/h9-12,23-30,47-50H,5-8,13-22,31-46H2,1-4H3,(H,65,77)(H,66,78)
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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 D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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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 wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357938
PNG
(CHEMBL1916551)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)C2Cc3ccccc3C2)nn1
Show InChI InChI=1S/C33H47N5O3/c1-4-6-20-38-25-29(35-36-38)14-11-21-41-31-16-15-28(24-32(31)40-3)33(39)34-17-9-10-19-37(18-5-2)30-22-26-12-7-8-13-27(26)23-30/h7-8,12-13,15-16,24-25,30H,4-6,9-11,14,17-23H2,1-3H3,(H,34,39)
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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 DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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13n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357935
PNG
(CHEMBL1916548)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(CC5)c5ccccc5OC)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C61H84N10O6/c1-5-31-68(54-42-49-20-10-11-21-50(49)43-54)32-17-14-30-62-61(72)51-27-29-58(60(44-51)75-4)77-40-19-23-53-47-71(66-64-53)34-16-9-7-6-8-15-33-70-46-52(63-65-70)22-18-39-76-57-28-26-48(41-59(57)74-3)45-67-35-37-69(38-36-67)55-24-12-13-25-56(55)73-2/h10-13,20-21,24-29,41,44,46-47,54H,5-9,14-19,22-23,30-40,42-43,45H2,1-4H3,(H,62,72)
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14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/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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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357940
PNG
(CHEMBL1916549)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C66H92N10O6/c1-5-35-73(59-43-51-23-11-12-24-52(51)44-59)37-19-15-33-67-65(77)55-29-31-61(63(47-55)79-3)81-41-21-27-57-49-75(71-69-57)39-17-9-7-8-10-18-40-76-50-58(70-72-76)28-22-42-82-62-32-30-56(48-64(62)80-4)66(78)68-34-16-20-38-74(36-6-2)60-45-53-25-13-14-26-54(53)46-60/h11-14,23-26,29-32,47-50,59-60H,5-10,15-22,27-28,33-46H2,1-4H3,(H,67,77)(H,68,78)
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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 DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357940
PNG
(CHEMBL1916549)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C66H92N10O6/c1-5-35-73(59-43-51-23-11-12-24-52(51)44-59)37-19-15-33-67-65(77)55-29-31-61(63(47-55)79-3)81-41-21-27-57-49-75(71-69-57)39-17-9-7-8-10-18-40-76-50-58(70-72-76)28-22-42-82-62-32-30-56(48-64(62)80-4)66(78)68-34-16-20-38-74(36-6-2)60-45-53-25-13-14-26-54(53)46-60/h11-14,23-26,29-32,47-50,59-60H,5-10,15-22,27-28,33-46H2,1-4H3,(H,67,77)(H,68,78)
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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 DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357937
PNG
(CHEMBL1916552)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)nn1
Show InChI InChI=1S/C32H46N6O4/c1-4-5-18-38-25-27(34-35-38)11-10-23-42-30-15-14-26(24-31(30)41-3)32(39)33-16-8-9-17-36-19-21-37(22-20-36)28-12-6-7-13-29(28)40-2/h6-7,12-15,24-25H,4-5,8-11,16-23H2,1-3H3,(H,33,39)
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17n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357936
PNG
(CHEMBL1916720)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN4CCN(CC4)c4ccccc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C65H91N11O7/c1-5-34-73(57-45-51-22-10-11-23-52(51)46-57)36-19-15-33-67-65(78)54-29-31-61(63(48-54)81-4)83-44-21-25-56-50-76(71-69-56)38-17-9-7-6-8-16-37-75-49-55(68-70-75)24-20-43-82-60-30-28-53(47-62(60)80-3)64(77)66-32-14-18-35-72-39-41-74(42-40-72)58-26-12-13-27-59(58)79-2/h10-13,22-23,26-31,47-50,57H,5-9,14-21,24-25,32-46H2,1-4H3,(H,66,77)(H,67,78)
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17n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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17n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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18n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347630
PNG
(CHEMBL1803024)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3
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22n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357936
PNG
(CHEMBL1916720)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN4CCN(CC4)c4ccccc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C65H91N11O7/c1-5-34-73(57-45-51-22-10-11-23-52(51)46-57)36-19-15-33-67-65(78)54-29-31-61(63(48-54)81-4)83-44-21-25-56-50-76(71-69-56)38-17-9-7-6-8-16-37-75-49-55(68-70-75)24-20-43-82-60-30-28-53(47-62(60)80-3)64(77)66-32-14-18-35-72-39-41-74(42-40-72)58-26-12-13-27-59(58)79-2/h10-13,22-23,26-31,47-50,57H,5-9,14-21,24-25,32-46H2,1-4H3,(H,66,77)(H,67,78)
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25n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/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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37n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347630
PNG
(CHEMBL1803024)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3
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41n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294118
PNG
(2-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C22H27ClN4/c23-19-8-10-21(11-9-19)26-16-14-25(15-17-26)12-4-1-2-6-20-18-22-7-3-5-13-27(22)24-20/h3,5,7-11,13,18H,1-2,4,6,12,14-17H2
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46n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347622
PNG
(CHEMBL1803049)
Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3
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53n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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56n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/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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65n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347622
PNG
(CHEMBL1803049)
Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3
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67n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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69n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50347630
PNG
(CHEMBL1803024)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3
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84n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Sus scrofa)
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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93n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from pig dopamine D1 receptor in striatal membrane


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357939
PNG
(CHEMBL1916550)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(cc5OC)C(=O)NCCCCN5CCN(CC5)c5ccccc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C64H90N12O8/c1-79-57-25-11-9-23-55(57)73-41-37-71(38-42-73)33-17-13-31-65-63(77)51-27-29-59(61(47-51)81-3)83-45-19-21-53-49-75(69-67-53)35-15-7-5-6-8-16-36-76-50-54(68-70-76)22-20-46-84-60-30-28-52(48-62(60)82-4)64(78)66-32-14-18-34-72-39-43-74(44-40-72)56-24-10-12-26-58(56)80-2/h9-12,23-30,47-50H,5-8,13-22,31-46H2,1-4H3,(H,65,77)(H,66,78)
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110n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50357939
PNG
(CHEMBL1916550)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(cc5OC)C(=O)NCCCCN5CCN(CC5)c5ccccc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C64H90N12O8/c1-79-57-25-11-9-23-55(57)73-41-37-71(38-42-73)33-17-13-31-65-63(77)51-27-29-59(61(47-51)81-3)83-45-19-21-53-49-75(69-67-53)35-15-7-5-6-8-16-36-76-50-54(68-70-76)22-20-46-84-60-30-28-52(48-62(60)82-4)64(78)66-32-14-18-34-72-39-43-74(44-40-72)56-24-10-12-26-58(56)80-2/h9-12,23-30,47-50H,5-8,13-22,31-46H2,1-4H3,(H,65,77)(H,66,78)
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110n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
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