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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'kühhorn' and Initial = 'j'   
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))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.190n/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 CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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0.220n/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 CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341511
PNG
(CHEMBL1765632 | N-(4-(4-Phenylbenzoylamino)butyl)-...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1Cc2cnn3cccc(C1)c23
Show InChI InChI=1S/C30H34N4O/c1-2-17-33(28-20-26-11-8-19-34-29(26)27(21-28)22-32-34)18-7-6-16-31-30(35)25-14-12-24(13-15-25)23-9-4-3-5-10-23/h3-5,8-15,19,22,28H,2,6-7,16-18,20-21H2,1H3,(H,31,35)
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0.550n/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 CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341509
PNG
(CHEMBL1765630 | N-(4-(4-Phenylbenzoylamino)butyl)-...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCn2ncc(Cl)c2C1
Show InChI InChI=1S/C27H33ClN4O/c1-2-16-31(24-14-18-32-26(19-24)25(28)20-30-32)17-7-6-15-29-27(33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,24H,2,6-7,14-19H2,1H3,(H,29,33)
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0.590n/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 CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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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 CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341517
PNG
(CHEMBL1765638 | N-(4-((2,3-dihydro-1H-inden-2-yl)(...)
Show SMILES CCCN(CCCCNC(=O)c1ccccc1-c1ccccc1)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H34N2O/c1-2-19-31(26-21-24-14-6-7-15-25(24)22-26)20-11-10-18-30-29(32)28-17-9-8-16-27(28)23-12-4-3-5-13-23/h3-9,12-17,26H,2,10-11,18-22H2,1H3,(H,30,32)
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
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 D2short receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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(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]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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(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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341516
PNG
(CHEMBL1765637 | N-[(N'-Indan-2-yl-N'-propyl)-4-ami...)
Show SMILES CCCN(CCCCNC(=O)Cc1ccccc1)C1Cc2ccccc2C1
Show InChI InChI=1S/C24H32N2O/c1-2-15-26(23-18-21-12-6-7-13-22(21)19-23)16-9-8-14-25-24(27)17-20-10-4-3-5-11-20/h3-7,10-13,23H,2,8-9,14-19H2,1H3,(H,25,27)
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2.70n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347634
PNG
(CHEMBL1803028)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C54H72N10O8/c1-65-49-15-7-5-13-47(49)61-25-21-59(22-26-61)39-43-17-19-51(53(37-43)67-3)71-31-9-11-45-41-63(57-55-45)29-33-69-35-36-70-34-30-64-42-46(56-58-64)12-10-32-72-52-20-18-44(38-54(52)68-4)40-60-23-27-62(28-24-60)48-14-6-8-16-50(48)66-2/h5-8,13-20,37-38,41-42H,9-12,21-36,39-40H2,1-4H3
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2.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347633
PNG
(CHEMBL1803027)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCn4cc(COc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347633
PNG
(CHEMBL1803027)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCn4cc(COc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3
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3.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347634
PNG
(CHEMBL1803028)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C54H72N10O8/c1-65-49-15-7-5-13-47(49)61-25-21-59(22-26-61)39-43-17-19-51(53(37-43)67-3)71-31-9-11-45-41-63(57-55-45)29-33-69-35-36-70-34-30-64-42-46(56-58-64)12-10-32-72-52-20-18-44(38-54(52)68-4)40-60-23-27-62(28-24-60)48-14-6-8-16-50(48)66-2/h5-8,13-20,37-38,41-42H,9-12,21-36,39-40H2,1-4H3
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3.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172506
PNG
(CHEMBL193337 | Dipropyl-(S)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347635
PNG
(CHEMBL1803029)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C56H76N10O9/c1-67-51-15-7-5-13-49(51)63-25-21-61(22-26-63)41-45-17-19-53(55(39-45)69-3)74-31-9-11-47-43-65(59-57-47)29-33-71-35-37-73-38-36-72-34-30-66-44-48(58-60-66)12-10-32-75-54-20-18-46(40-56(54)70-4)42-62-23-27-64(28-24-62)50-14-6-8-16-52(50)68-2/h5-8,13-20,39-40,43-44H,9-12,21-38,41-42H2,1-4H3
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4.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347635
PNG
(CHEMBL1803029)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C56H76N10O9/c1-67-51-15-7-5-13-49(51)63-25-21-61(22-26-63)41-45-17-19-53(55(39-45)69-3)74-31-9-11-47-43-65(59-57-47)29-33-71-35-37-73-38-36-72-34-30-66-44-48(58-60-66)12-10-32-75-54-20-18-46(40-56(54)70-4)42-62-23-27-64(28-24-62)50-14-6-8-16-52(50)68-2/h5-8,13-20,39-40,43-44H,9-12,21-38,41-42H2,1-4H3
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6.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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 D3 receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341512
PNG
((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1
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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]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347627
PNG
(CHEMBL1803054)
Show SMILES COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C50H72N10O5/c1-55-25-27-56(28-26-55)37-41-19-21-47(49(35-41)62-3)64-33-13-15-43-39-59(53-51-43)23-11-7-5-6-8-12-24-60-40-44(52-54-60)16-14-34-65-48-22-20-42(36-50(48)63-4)38-57-29-31-58(32-30-57)45-17-9-10-18-46(45)61-2/h9-10,17-22,35-36,39-40H,5-8,11-16,23-34,37-38H2,1-4H3
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7.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347632
PNG
(CHEMBL1803026)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCCc3cn(CCCCCCCCCCn4cc(CCCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3
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8.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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))
BDBM50347627
PNG
(CHEMBL1803054)
Show SMILES COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C50H72N10O5/c1-55-25-27-56(28-26-55)37-41-19-21-47(49(35-41)62-3)64-33-13-15-43-39-59(53-51-43)23-11-7-5-6-8-12-24-60-40-44(52-54-60)16-14-34-65-48-22-20-42(36-50(48)63-4)38-57-29-31-58(32-30-57)45-17-9-10-18-46(45)61-2/h9-10,17-22,35-36,39-40H,5-8,11-16,23-34,37-38H2,1-4H3
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9.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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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12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells in presence of 100 mM sodium chloride


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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))
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(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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172506
PNG
(CHEMBL193337 | Dipropyl-(S)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m0/s1
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14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341512
PNG
((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r|
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1
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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 D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
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))
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))
BDBM50347625
PNG
(CHEMBL1803052)
Show SMILES CCOCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
Show InChI InChI=1S/C28H39N5O4/c1-4-36-19-17-33-22-24(29-30-33)8-7-18-37-27-12-11-23(20-28(27)35-3)21-31-13-15-32(16-14-31)25-9-5-6-10-26(25)34-2/h5-6,9-12,20,22H,4,7-8,13-19,21H2,1-3H3
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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 D2short receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347629
PNG
(CHEMBL1803023)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
Show InChI InChI=1S/C52H68N10O6/c1-63-47-17-11-9-15-45(47)59-29-25-57(26-30-59)35-41-19-21-49(51(33-41)65-3)67-39-43-37-61(55-53-43)23-13-7-5-6-8-14-24-62-38-44(54-56-62)40-68-50-22-20-42(34-52(50)66-4)36-58-27-31-60(32-28-58)46-16-10-12-18-48(46)64-2/h9-12,15-22,33-34,37-38H,5-8,13-14,23-32,35-36,39-40H2,1-4H3
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16n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347631
PNG
(CHEMBL1803025)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3
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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 D2short receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347632
PNG
(CHEMBL1803026)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCCc3cn(CCCCCCCCCCn4cc(CCCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3
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17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells


J Med Chem 54: 4896-903 (2011)


Article DOI: 10.1021/jm2004859
BindingDB Entry DOI: 10.7270/Q2RB74ZR
More data for this
Ligand-Target Pair
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