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Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with all data for entry = 50037606   
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))
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
3D
3D Structure (crystal)
D(4) dopamine receptor


(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
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))
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))
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(4) 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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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
D(2) 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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21n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) 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(2) 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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21n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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))
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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24n/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(4) 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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32n/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(2) dopamine receptor


(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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35n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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))
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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38n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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
3D
3D Structure (crystal)
D(2) 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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41n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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(2) 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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52n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) 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(4) dopamine receptor


(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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53n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(4) 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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58n/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(4) 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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58n/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(1A) dopamine receptor


(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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63n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (high) towards human dopamine receptor 2 long 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))
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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110n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(2) 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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120n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) 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(4) 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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130n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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))
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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150n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(2) 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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160n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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(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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180n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) 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))
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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200n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(4) 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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200n/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(2) 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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210n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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(2) 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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220n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) 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))
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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230n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(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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250n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) 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))
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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420n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(4) 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
PDB

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1.60E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(4) 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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1.70E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(2) 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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1.90E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 2 (short) 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(4) 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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2.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-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-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
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(2) dopamine receptor


(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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3.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 short 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(2) 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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3.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 short 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(2) dopamine receptor


(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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3.10E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 (long) 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172511
PNG
(5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]...)
Show SMILES CCCN(CCC)C1CCn2ncc(C=O)c2C1
Show InChI InChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3
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4.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor 2 (short) 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))
BDBM50172508
PNG
((5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a...)
Show SMILES CCCN(CCC)C1CCn2ncc(CO)c2C1
Show InChI InChI=1S/C14H25N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10,13,18H,3-9,11H2,1-2H3
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>4.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172511
PNG
(5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]...)
Show SMILES CCCN(CCC)C1CCn2ncc(C=O)c2C1
Show InChI InChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3
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5.90E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor 2 (long) 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(2) 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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6.30E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 2 (long) 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(4) 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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6.40E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low 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(2) 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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6.90E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 long 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(2) 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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8.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 2 (short) 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(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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1.00E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 2 (short) 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))
BDBM50172510
PNG
(5-Propylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]py...)
Show SMILES CCCNC1CCn2ncc(C(=O)OC)c2C1
Show InChI InChI=1S/C12H19N3O2/c1-3-5-13-9-4-6-15-11(7-9)10(8-14-15)12(16)17-2/h8-9,13H,3-7H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
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
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