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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048215   
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


(Rattus norvegicus (rat))
BDBM50208451
PNG
(CHEMBL3885471)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C25H23Cl2FN4O3/c26-19-3-1-4-20(24(19)27)32-23(33)8-7-22(29-32)34-14-2-11-31-12-9-16(10-13-31)25-18-6-5-17(28)15-21(18)35-30-25/h1,3-8,15-16H,2,9-14H2
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0.200n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208441
PNG
(CHEMBL3885254)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C25H23Cl2FN4O3/c26-17-2-5-21(20(27)14-17)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-3-18(28)15-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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0.400n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208447
PNG
(CHEMBL3883955)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2c(F)cccc2F)CC1 |(23.65,-6.56,;22.14,-6.23,;21.11,-7.37,;19.61,-7.04,;19.15,-5.58,;17.75,-4.96,;17.92,-3.43,;19.42,-3.11,;20.19,-4.45,;21.68,-4.77,;16.42,-5.72,;16.4,-7.26,;15.07,-8.02,;13.74,-7.24,;12.4,-8.01,;11.07,-7.23,;9.73,-8,;8.4,-7.22,;7.06,-7.99,;5.73,-7.21,;4.4,-7.99,;4.4,-9.53,;3.07,-10.3,;5.73,-10.29,;7.06,-9.53,;5.73,-11.83,;7.06,-12.6,;8.4,-11.82,;7.07,-14.14,;5.73,-14.91,;4.4,-14.14,;4.4,-12.6,;3.06,-11.83,;13.74,-5.71,;15.08,-4.94,)|
Show InChI InChI=1S/C25H23F3N4O3/c26-17-5-6-18-21(15-17)35-30-24(18)16-9-12-31(13-10-16)11-2-14-34-22-7-8-23(33)32(29-22)25-19(27)3-1-4-20(25)28/h1,3-8,15-16H,2,9-14H2
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0.5n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208446
PNG
(CHEMBL3884161)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C25H23Cl2FN4O3/c26-17-2-5-20(27)21(14-17)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-3-18(28)15-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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2.70n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208460
PNG
(CHEMBL3884325)
Show SMILES Fc1ccc(F)c(c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Show InChI InChI=1S/C25H23F3N4O3/c26-17-3-5-20(28)21(14-17)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-2-18(27)15-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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6.10n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208439
PNG
(CHEMBL3884918)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C25H23Cl2FN4O3/c26-20-5-3-18(15-21(20)27)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-2-17(28)14-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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7.80n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208452
PNG
(CHEMBL3884874)
Show SMILES Fc1ccc(cc1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Show InChI InChI=1S/C25H24F2N4O3/c26-18-2-5-20(6-3-18)31-24(32)9-8-23(28-31)33-15-1-12-30-13-10-17(11-14-30)25-21-7-4-19(27)16-22(21)34-29-25/h2-9,16-17H,1,10-15H2
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11n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208471
PNG
(CHEMBL3884183)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C29H27FN4O3/c30-23-7-9-25-26(19-23)37-32-29(25)21-12-15-33(16-13-21)14-3-17-36-27-10-11-28(35)34(31-27)24-8-6-20-4-1-2-5-22(20)18-24/h1-2,4-11,18-19,21H,3,12-17H2
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16n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208456
PNG
(CHEMBL3884138)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H25Cl2FN4O3/c27-21-6-4-19(16-22(21)28)33-25(34)8-7-24(30-33)35-14-2-1-11-32-12-9-17(10-13-32)26-20-5-3-18(29)15-23(20)36-31-26/h3-8,15-17H,1-2,9-14H2
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27n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208477
PNG
(CHEMBL3883408)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H24ClFN4O3/c26-18-2-5-20(6-3-18)31-24(32)9-8-23(28-31)33-15-1-12-30-13-10-17(11-14-30)25-21-7-4-19(27)16-22(21)34-29-25/h2-9,16-17H,1,10-15H2
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28n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208449
PNG
(CHEMBL3883603)
Show SMILES Cc1ccc(cc1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Show InChI InChI=1S/C26H27FN4O3/c1-18-3-6-21(7-4-18)31-25(32)10-9-24(28-31)33-16-2-13-30-14-11-19(12-15-30)26-22-8-5-20(27)17-23(22)34-29-26/h3-10,17,19H,2,11-16H2,1H3
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33n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208464
PNG
(CHEMBL3884994)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(F)cc(F)c2)CC1
Show InChI InChI=1S/C25H23F3N4O3/c26-17-2-3-21-22(15-17)35-30-25(21)16-6-9-31(10-7-16)8-1-11-34-23-4-5-24(33)32(29-23)20-13-18(27)12-19(28)14-20/h2-5,12-16H,1,6-11H2
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35n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208440
PNG
(CHEMBL3883388)
Show SMILES Cc1c(C)c(=O)n(nc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H27Cl2FN4O3/c1-16-17(2)27(35)34(20-5-7-22(28)23(29)15-20)31-26(16)36-13-3-10-33-11-8-18(9-12-33)25-21-6-4-19(30)14-24(21)37-32-25/h4-7,14-15,18H,3,8-13H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208474
PNG
(CHEMBL3884066)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C25H23Cl2FN4O3/c26-17-12-18(27)14-20(13-17)32-24(33)5-4-23(29-32)34-11-1-8-31-9-6-16(7-10-31)25-21-3-2-19(28)15-22(21)35-30-25/h2-5,12-16H,1,6-11H2
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38n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208455
PNG
(CHEMBL3884681)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C25H24ClFN4O3/c26-20-4-1-2-5-21(20)31-24(32)9-8-23(28-31)33-15-3-12-30-13-10-17(11-14-30)25-19-7-6-18(27)16-22(19)34-29-25/h1-2,4-9,16-17H,3,10-15H2
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39n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208458
PNG
(CHEMBL3884034)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H23F3N4O3/c26-17-2-4-19-22(14-17)35-30-25(19)16-8-11-31(12-9-16)10-1-13-34-23-6-7-24(33)32(29-23)18-3-5-20(27)21(28)15-18/h2-7,14-16H,1,8-13H2
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39n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208479
PNG
(CHEMBL3883511)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H27Cl2FN4O3/c28-22-7-5-20(17-23(22)29)34-26(35)9-8-25(31-34)36-15-3-1-2-12-33-13-10-18(11-14-33)27-21-6-4-19(30)16-24(21)37-32-27/h4-9,16-18H,1-3,10-15H2
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40n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208463
PNG
(CHEMBL3884300)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C25H24ClFN4O3/c26-18-3-1-4-20(15-18)31-24(32)8-7-23(28-31)33-14-2-11-30-12-9-17(10-13-30)25-21-6-5-19(27)16-22(21)34-29-25/h1,3-8,15-17H,2,9-14H2
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41n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208461
PNG
(CHEMBL3884065)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2nn(-c3ccc(Cl)c(Cl)c3)c(=O)c3CCCCc23)CC1
Show InChI InChI=1S/C29H29Cl2FN4O3/c30-24-9-7-20(17-25(24)31)36-29(37)22-5-2-1-4-21(22)28(33-36)38-15-3-12-35-13-10-18(11-14-35)27-23-8-6-19(32)16-26(23)39-34-27/h6-9,16-18H,1-5,10-15H2
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42n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208485
PNG
(CHEMBL3883942)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2nn(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C29H25Cl2FN4O3/c30-24-9-7-20(17-25(24)31)36-29(37)22-5-2-1-4-21(22)28(33-36)38-15-3-12-35-13-10-18(11-14-35)27-23-8-6-19(32)16-26(23)39-34-27/h1-2,4-9,16-18H,3,10-15H2
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44n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208450
PNG
(CHEMBL3883557)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C25H23ClF2N4O3/c26-20-15-18(3-5-21(20)28)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-2-17(27)14-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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45n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208445
PNG
(CHEMBL3884105)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H25FN4O3/c26-19-7-8-21-22(17-19)33-28-25(21)18-11-14-29(15-12-18)13-4-16-32-23-9-10-24(31)30(27-23)20-5-2-1-3-6-20/h1-3,5-10,17-18H,4,11-16H2
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46n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208442
PNG
(CHEMBL3884733)
Show SMILES Fc1ccc(c(F)c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Show InChI InChI=1S/C25H23F3N4O3/c26-17-3-5-21(20(28)14-17)32-24(33)7-6-23(29-32)34-13-1-10-31-11-8-16(9-12-31)25-19-4-2-18(27)15-22(19)35-30-25/h2-7,14-16H,1,8-13H2
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174n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208470
PNG
(CHEMBL3885003)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C25H24Cl2FN3O3/c26-21-7-6-20(16-22(21)27)31-24(32)9-8-23(29-31)34-15-1-12-30-13-10-18(11-14-30)25(33)17-2-4-19(28)5-3-17/h2-9,16,18H,1,10-15H2
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179n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208459
PNG
(CHEMBL3884820)
Show SMILES NC(=O)c1ccc2occ(N3CCN(CCCOc4ccc(=O)n(n4)-c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C26H25Cl2N5O4/c27-20-4-3-18(15-21(20)28)33-25(34)7-6-24(30-33)36-13-1-8-31-9-11-32(12-10-31)22-16-37-23-5-2-17(26(29)35)14-19(22)23/h2-7,14-16H,1,8-13H2,(H2,29,35)
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379n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208457
PNG
(CHEMBL3885088)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCC(CC2)c2c[nH]c3ccccc23)ccc1=O
Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-7-6-19(16-23(22)28)32-26(33)9-8-25(30-32)34-15-3-12-31-13-10-18(11-14-31)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-18,29H,3,10-15H2
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499n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208481
PNG
(CHEMBL3883773)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H26Cl2N4O3/c1-32-22-6-3-2-5-21(22)29-14-12-28(13-15-29)11-4-16-33-23-9-10-24(31)30(27-23)18-7-8-19(25)20(26)17-18/h2-3,5-10,17H,4,11-16H2,1H3
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524n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208448
PNG
(CHEMBL3885016)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2nsc3ccccc23)ccc1=O
Show InChI InChI=1S/C24H23Cl2N5O2S/c25-19-7-6-17(16-20(19)26)31-23(32)9-8-22(27-31)33-15-3-10-29-11-13-30(14-12-29)24-18-4-1-2-5-21(18)34-28-24/h1-2,4-9,16H,3,10-15H2
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595n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208444
PNG
(CHEMBL3884545)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2csc3ccccc23)ccc1=O
Show InChI InChI=1S/C25H24Cl2N4O2S/c26-20-7-6-18(16-21(20)27)31-25(32)9-8-24(28-31)33-15-3-10-29-11-13-30(14-12-29)22-17-34-23-5-2-1-4-19(22)23/h1-2,4-9,16-17H,3,10-15H2
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648n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208453
PNG
(CHEMBL3885327)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1=O
Show InChI InChI=1S/C23H22Cl4N4O2/c24-17-6-5-16(15-19(17)26)31-22(32)8-7-21(28-31)33-14-2-9-29-10-12-30(13-11-29)20-4-1-3-18(25)23(20)27/h1,3-8,15H,2,9-14H2
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777n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208469
PNG
(CHEMBL3884885)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccc2Cl)ccc1=O
Show InChI InChI=1S/C23H23Cl3N4O2/c24-18-7-6-17(16-20(18)26)30-23(31)9-8-22(27-30)32-15-3-10-28-11-13-29(14-12-28)21-5-2-1-4-19(21)25/h1-2,4-9,16H,3,10-15H2
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808n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208466
PNG
(CHEMBL3884619)
Show SMILES COc1ccc(cc1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H26Cl2N4O3/c1-32-20-6-3-18(4-7-20)29-14-12-28(13-15-29)11-2-16-33-23-9-10-24(31)30(27-23)19-5-8-21(25)22(26)17-19/h3-10,17H,2,11-16H2,1H3
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845n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208467
PNG
(CHEMBL3883960)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ncccn2)ccc1=O
Show InChI InChI=1S/C21H22Cl2N6O2/c22-17-4-3-16(15-18(17)23)29-20(30)6-5-19(26-29)31-14-2-9-27-10-12-28(13-11-27)21-24-7-1-8-25-21/h1,3-8,15H,2,9-14H2
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914n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208468
PNG
(CHEMBL3885211)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H23Cl2F3N4O2/c25-20-6-5-19(16-21(20)26)33-23(34)8-7-22(30-33)35-14-2-9-31-10-12-32(13-11-31)18-4-1-3-17(15-18)24(27,28)29/h1,3-8,15-16H,2,9-14H2
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916n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208483
PNG
(CHEMBL3883495)
Show SMILES Fc1ccc(cc1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H23Cl2FN4O2/c24-20-7-6-19(16-21(20)25)30-23(31)9-8-22(27-30)32-15-1-10-28-11-13-29(14-12-28)18-4-2-17(26)3-5-18/h2-9,16H,1,10-15H2
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953n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208472
PNG
(CHEMBL3884209)
Show SMILES Fc1ccccc1N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H23Cl2FN4O2/c24-18-7-6-17(16-19(18)25)30-23(31)9-8-22(27-30)32-15-3-10-28-11-13-29(14-12-28)21-5-2-1-4-20(21)26/h1-2,4-9,16H,3,10-15H2
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1.20E+3n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208462
PNG
(CHEMBL3885180)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccc2)ccc1=O
Show InChI InChI=1S/C23H24Cl2N4O2/c24-20-8-7-19(17-21(20)25)29-23(30)10-9-22(26-29)31-16-4-11-27-12-14-28(15-13-27)18-5-2-1-3-6-18/h1-3,5-10,17H,4,11-16H2
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PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208454
PNG
(CHEMBL3885152)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCC(CC2)c2nc3ccccc3s2)ccc1=O
Show InChI InChI=1S/C25H24Cl2N4O2S/c26-19-7-6-18(16-20(19)27)31-24(32)9-8-23(29-31)33-15-3-12-30-13-10-17(11-14-30)25-28-21-4-1-2-5-22(21)34-25/h1-2,4-9,16-17H,3,10-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208443
PNG
(CHEMBL3883429)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccn2)ccc1=O
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-6-5-17(16-19(18)24)29-22(30)8-7-21(26-29)31-15-3-10-27-11-13-28(14-12-27)20-4-1-2-9-25-20/h1-2,4-9,16H,3,10-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208473
PNG
(CHEMBL3884581)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1=O
Show InChI InChI=1S/C24H26Cl2N4O2/c25-21-8-7-20(17-22(21)26)30-24(31)10-9-23(27-30)32-16-4-11-28-12-14-29(15-13-28)18-19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16,18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50208465
PNG
(CHEMBL3883484)
Show SMILES Cc1cccc(N2CCN(CCCOc3ccc(=O)n(n3)-c3ccc(Cl)c(Cl)c3)CC2)c1C
Show InChI InChI=1S/C25H28Cl2N4O2/c1-18-5-3-6-23(19(18)2)30-14-12-29(13-15-30)11-4-16-33-24-9-10-25(32)31(28-24)20-7-8-21(26)22(27)17-20/h3,5-10,17H,4,11-16H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysi...


Eur J Med Chem 124: 713-728 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.008
BindingDB Entry DOI: 10.7270/Q2SQ92C5
More data for this
Ligand-Target Pair