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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50048392   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50213965
PNG
(CHEMBL21168)
Show SMILES Clc1ccc(cc1)N1CCN(CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C23H32ClN3O/c24-20-1-3-21(4-2-20)27-9-7-26(8-10-27)6-5-25-22(28)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-4,17-19H,5-16H2,(H,25,28)
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50068367
PNG
(CHEMBL283353 | N-{2-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213866
PNG
(CHEMBL20655)
Show SMILES CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClN3O/c1-20(9-3-2-4-10-20)19(25)22-11-12-23-13-15-24(16-14-23)18-7-5-17(21)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,22,25)
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213865
PNG
(CHEMBL20725)
Show SMILES CCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H30ClN3O/c1-4-9-19(2,3)18(24)21-10-11-22-12-14-23(15-13-22)17-7-5-16(20)6-8-17/h5-8H,4,9-15H2,1-3H3,(H,21,24)
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213859
PNG
(CHEMBL20367)
Show SMILES CC1(CCCCC1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H34ClN3O/c1-22(11-3-2-4-12-22)21(27)24-13-5-6-14-25-15-17-26(18-16-25)20-9-7-19(23)8-10-20/h7-10H,2-6,11-18H2,1H3,(H,24,27)
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213847
PNG
(CHEMBL20493)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213862
PNG
(CHEMBL20444)
Show SMILES CCCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H34ClN3O/c1-4-11-21(2,3)20(26)23-12-5-6-13-24-14-16-25(17-15-24)19-9-7-18(22)8-10-19/h7-10H,4-6,11-17H2,1-3H3,(H,23,26)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50007185
PNG
(CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213846
PNG
(CHEMBL20251)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H32ClN3O2/c1-20(2,3)19(25)22-9-5-6-10-23-11-13-24(14-12-23)17-8-7-16(21)15-18(17)26-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,22,25)
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213856
PNG
(CHEMBL21011)
Show SMILES CCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-20(2,3)19(25)22-11-5-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213967
PNG
(CHEMBL21119)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C25H36ClN3O/c26-22-3-5-23(6-4-22)29-11-9-28(10-12-29)8-2-1-7-27-24(30)25-16-19-13-20(17-25)15-21(14-19)18-25/h3-6,19-21H,1-2,7-18H2,(H,27,30)
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007185
PNG
(CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213853
PNG
(CHEMBL282008)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213848
PNG
(CHEMBL20996)
Show SMILES CCCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-5-10-20(2,3)19(25)22-11-12-23-13-15-24(16-14-23)18-8-6-17(21)7-9-18/h6-9H,4-5,10-16H2,1-3H3,(H,22,25)
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213857
PNG
(CHEMBL277669)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H30BrN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213852
PNG
(CHEMBL21059)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H30F3N3O/c1-19(2,3)18(27)24-10-4-5-11-25-12-14-26(15-13-25)17-8-6-16(7-9-17)20(21,22)23/h6-9H,4-5,10-15H2,1-3H3,(H,24,27)
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213855
PNG
(CHEMBL20854)
Show SMILES CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-16-15-23(12-6-5-11-22-19(25)20(2,3)4)13-14-24(16)18-9-7-17(21)8-10-18/h7-10,16H,5-6,11-15H2,1-4H3,(H,22,25)
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213860
PNG
(CHEMBL20204)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN2C(CCc3cc(Cl)ccc23)C1
Show InChI InChI=1S/C21H32ClN3O/c1-21(2,3)20(26)23-10-4-5-11-24-12-13-25-18(15-24)8-6-16-14-17(22)7-9-19(16)25/h7,9,14,18H,4-6,8,10-13,15H2,1-3H3,(H,23,26)
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213864
PNG
(CHEMBL283142)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-10-6-7-11-22-12-14-23(15-13-22)17-9-5-4-8-16(17)20/h4-5,8-9H,6-7,10-15H2,1-3H3,(H,21,24)
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213864
PNG
(CHEMBL283142)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-10-6-7-11-22-12-14-23(15-13-22)17-9-5-4-8-16(17)20/h4-5,8-9H,6-7,10-15H2,1-3H3,(H,21,24)
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213966
PNG
(CHEMBL20729)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-9-4-5-10-22-11-13-23(14-12-22)17-8-6-7-16(20)15-17/h6-8,15H,4-5,9-14H2,1-3H3,(H,21,24)
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213964
PNG
(CHEMBL20114)
Show SMILES CC(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-15(2)18(23)20-9-3-4-10-21-11-13-22(14-12-21)17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
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126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213861
PNG
(CHEMBL277937)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H30FN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213851
PNG
(CHEMBL278288)
Show SMILES CC(C)(C)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-20(2,3)19(25)22-11-5-4-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213846
PNG
(CHEMBL20251)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H32ClN3O2/c1-20(2,3)19(25)22-9-5-6-10-23-11-13-24(14-12-23)17-8-7-16(21)15-18(17)26-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,22,25)
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158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213858
PNG
(CHEMBL21205)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H26ClN3O/c22-19-8-10-20(11-9-19)25-16-14-24(15-17-25)13-5-4-12-23-21(26)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,23,26)
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158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213850
PNG
(CHEMBL423287)
Show SMILES CC(C)(C)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-18(2,3)17(23)20-9-4-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213966
PNG
(CHEMBL20729)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-9-4-5-10-22-11-13-23(14-12-22)17-8-6-7-16(20)15-17/h6-8,15H,4-5,9-14H2,1-3H3,(H,21,24)
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251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213849
PNG
(CHEMBL21035)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H31N3O/c1-19(2,3)18(23)20-11-7-8-12-21-13-15-22(16-14-21)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,20,23)
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316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213854
PNG
(CHEMBL20819)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-5-6-12-22-13-15-23(16-14-22)17-7-9-18(25-4)10-8-17/h7-10H,5-6,11-16H2,1-4H3,(H,21,24)
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316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213851
PNG
(CHEMBL278288)
Show SMILES CC(C)(C)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-20(2,3)19(25)22-11-5-4-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213860
PNG
(CHEMBL20204)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN2C(CCc3cc(Cl)ccc23)C1
Show InChI InChI=1S/C21H32ClN3O/c1-21(2,3)20(26)23-10-4-5-11-24-12-13-25-18(15-24)8-6-16-14-17(22)7-9-19(16)25/h7,9,14,18H,4-6,8,10-13,15H2,1-3H3,(H,23,26)
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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213965
PNG
(CHEMBL21168)
Show SMILES Clc1ccc(cc1)N1CCN(CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C23H32ClN3O/c24-20-1-3-21(4-2-20)27-9-7-26(8-10-27)6-5-25-22(28)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-4,17-19H,5-16H2,(H,25,28)
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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213858
PNG
(CHEMBL21205)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H26ClN3O/c22-19-8-10-20(11-9-19)25-16-14-24(15-17-25)13-5-4-12-23-21(26)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,23,26)
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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213967
PNG
(CHEMBL21119)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C25H36ClN3O/c26-22-3-5-23(6-4-22)29-11-9-28(10-12-29)8-2-1-7-27-24(30)25-16-19-13-20(17-25)15-21(14-19)18-25/h3-6,19-21H,1-2,7-18H2,(H,27,30)
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631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213849
PNG
(CHEMBL21035)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H31N3O/c1-19(2,3)18(23)20-11-7-8-12-21-13-15-22(16-14-21)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,20,23)
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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213866
PNG
(CHEMBL20655)
Show SMILES CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClN3O/c1-20(9-3-2-4-10-20)19(25)22-11-12-23-13-15-24(16-14-23)18-7-5-17(21)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,22,25)
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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213859
PNG
(CHEMBL20367)
Show SMILES CC1(CCCCC1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H34ClN3O/c1-22(11-3-2-4-12-22)21(27)24-13-5-6-14-25-15-17-26(18-16-25)20-9-7-19(23)8-10-20/h7-10H,2-6,11-18H2,1H3,(H,24,27)
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213856
PNG
(CHEMBL21011)
Show SMILES CCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-20(2,3)19(25)22-11-5-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213863
PNG
(CHEMBL21252)
Show SMILES CC(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN3O/c1-14(21)18-8-2-3-9-19-10-12-20(13-11-19)16-6-4-15(17)5-7-16/h4-7H,2-3,8-13H2,1H3,(H,18,21)
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1.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213857
PNG
(CHEMBL277669)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H30BrN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213855
PNG
(CHEMBL20854)
Show SMILES CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-16-15-23(12-6-5-11-22-19(25)20(2,3)4)13-14-24(16)18-9-7-17(21)8-10-18/h7-10,16H,5-6,11-15H2,1-4H3,(H,22,25)
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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213848
PNG
(CHEMBL20996)
Show SMILES CCCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-5-10-20(2,3)19(25)22-11-12-23-13-15-24(16-14-23)18-8-6-17(21)7-9-18/h6-9H,4-5,10-16H2,1-3H3,(H,22,25)
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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213863
PNG
(CHEMBL21252)
Show SMILES CC(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN3O/c1-14(21)18-8-2-3-9-19-10-12-20(13-11-19)16-6-4-15(17)5-7-16/h4-7H,2-3,8-13H2,1H3,(H,18,21)
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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213862
PNG
(CHEMBL20444)
Show SMILES CCCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H34ClN3O/c1-4-11-21(2,3)20(26)23-12-5-6-13-24-14-16-25(17-15-24)19-9-7-18(22)8-10-19/h7-10H,4-6,11-17H2,1-3H3,(H,23,26)
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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213964
PNG
(CHEMBL20114)
Show SMILES CC(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-15(2)18(23)20-9-3-4-10-21-11-13-22(14-12-21)17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213861
PNG
(CHEMBL277937)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H30FN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213853
PNG
(CHEMBL282008)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
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2.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213865
PNG
(CHEMBL20725)
Show SMILES CCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H30ClN3O/c1-4-9-19(2,3)18(24)21-10-11-22-12-14-23(15-13-22)17-7-5-16(20)6-8-17/h5-8H,4,9-15H2,1-3H3,(H,21,24)
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2.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213847
PNG
(CHEMBL20493)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

2.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
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