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Compile Data Set for Download or QSAR

Found 539 hits with Last Name = 'boeckler' and Initial = 'f'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.120n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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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 D3 receptor expressed in CHO cells


J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.330n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167934
PNG
(CHEMBL191962 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Ru/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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0.370n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
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(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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50188476
PNG
(CHEMBL209876 | N-4-[4-(3-chloro-2-methoxyphenyl)pi...)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H38ClN3O2/c1-38-31-29(33)5-4-6-30(31)36-21-19-35(20-22-36)18-3-2-17-34-32(37)28-23-26-12-11-24-7-9-25(10-8-24)13-15-27(28)16-14-26/h4-10,14,16,23H,2-3,11-13,15,17-22H2,1H3,(H,34,37)
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0.460n/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 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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0.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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0.520n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167933
PNG
(CHEMBL370297 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Ru/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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0.600n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167937
PNG
(CHEMBL194555 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Fe/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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0.630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119392
PNG
(CHEMBL141845 | N-(2-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C21H25N5O2/c1-28-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-9-22-21(27)17-16-23-26-10-5-4-6-18(17)26/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)
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0.670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167933
PNG
(CHEMBL370297 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Ru/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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0.840n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167935
PNG
(CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...)
Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;
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0.910n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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1.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
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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1.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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1.30n/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 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50188474
PNG
(CHEMBL426863 | N-[4-[4-(2,3-difluorophenyl)piperaz...)
Show SMILES Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
Show InChI InChI=1S/C31H35F2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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1.90n/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 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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3n/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 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
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3.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167935
PNG
(CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...)
Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;
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3.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
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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3.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50188478
PNG
(CHEMBL210461 | N-[4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
Show InChI InChI=1S/C31H35Cl2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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3.60n/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 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
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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4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (high) towards human dopamine receptor 3 against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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5.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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5.60n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172507
PNG
((3-Chloro-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridi...)
Show SMILES CCCN(CCC)C1CCn2ncc(Cl)c2C1
Show InChI InChI=1S/C13H22ClN3/c1-3-6-16(7-4-2)11-5-8-17-13(9-11)12(14)10-15-17/h10-11H,3-9H2,1-2H3
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6.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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6.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172512
PNG
(CHEMBL196928 | Dipropyl-(4,5,6,7-tetrahydro-pyrazo...)
Show SMILES CCCN(CCC)C1CCn2nccc2C1
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
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6.70n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50164427
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C#N
Show InChI InChI=1S/C15H23N3/c1-3-8-17(9-4-2)13-7-10-18-14(11-13)5-6-15(18)12-16/h5-6,13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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7.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
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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8.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Ligand efficacy towards dopamine D3 receptor


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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9.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
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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10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167934
PNG
(CHEMBL191962 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Ru/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells


J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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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 D2 long receptor expressed in CHO cells


J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
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