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Compile Data Set for Download or QSAR

Found 77 hits of ic50 for UniProtKB: P19020   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219939
PNG
(CHEMBL240693 | N-((1r,4r)-4-(2-(4-(2,3-dichlorophe...)
Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1Cl |wU:15.18,wD:12.11,(14.57,-10.28,;13.25,-9.5,;13.25,-7.96,;11.92,-7.19,;10.58,-7.96,;10.59,-9.49,;9.26,-10.25,;9.25,-11.79,;7.92,-12.55,;6.58,-11.78,;5.26,-12.55,;3.92,-11.78,;2.59,-12.55,;1.25,-11.78,;-.09,-12.55,;-.09,-14.1,;1.25,-14.87,;2.59,-14.1,;-1.42,-14.9,;-2.77,-14.14,;-3.53,-15.48,;-2,-12.8,;-4.1,-13.37,;-5.44,-14.14,;-6.77,-13.38,;-6.78,-11.83,;-5.43,-11.05,;-4.1,-11.83,;6.58,-10.25,;7.92,-9.48,;11.92,-10.27,;11.9,-11.81,)|
Show InChI InChI=1S/C23H30Cl2N4O2S/c24-21-4-1-5-22(23(21)25)29-15-13-28(14-16-29)12-10-18-6-8-19(9-7-18)27-32(30,31)20-3-2-11-26-17-20/h1-5,11,17-19,27H,6-10,12-16H2/t18-,19-
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n/an/a 0.200n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382302
PNG
(CHEMBL2024516)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-5.5,-6.61,;-4.16,-7.38,;-2.83,-6.61,;-2.83,-5.07,;-1.5,-7.38,;-.16,-6.61,;-.16,-5.07,;1.17,-4.29,;2.49,-5.07,;3.83,-4.31,;5.16,-5.08,;6.5,-4.31,;7.82,-5.09,;9.16,-4.33,;9.17,-2.79,;7.84,-2.01,;6.49,-2.78,;10.5,-2.02,;11.85,-2.77,;13.18,-1.97,;13.14,-.43,;11.8,.31,;11.77,1.85,;10.48,-.49,;9.13,.26,;2.49,-6.61,;1.17,-7.37,)|
Show InChI InChI=1S/C21H31Cl2N3O/c1-2-20(27)24-17-8-6-16(7-9-17)10-11-25-12-14-26(15-13-25)19-5-3-4-18(22)21(19)23/h3-5,16-17H,2,6-15H2,1H3,(H,24,27)/t16-,17-
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n/an/a 0.260n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382300
PNG
(CHEMBL2024514)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:4.3,wD:7.7,(-.69,-8.37,;.65,-7.6,;.65,-6.06,;1.98,-8.37,;3.31,-7.6,;3.31,-6.06,;4.64,-5.28,;5.97,-6.06,;7.31,-5.29,;8.64,-6.07,;9.97,-5.3,;11.3,-6.08,;12.63,-5.32,;12.64,-3.78,;11.31,-3,;9.97,-3.76,;13.98,-3.01,;15.32,-3.77,;16.65,-2.99,;16.64,-1.45,;15.3,-.7,;15.29,.84,;13.97,-1.47,;12.63,-.71,;5.97,-7.6,;4.64,-8.36,)|
Show InChI InChI=1S/C20H29Cl2N3O/c1-15(26)23-17-7-5-16(6-8-17)9-10-24-11-13-25(14-12-24)19-4-2-3-18(21)20(19)22/h2-4,16-17H,5-14H2,1H3,(H,23,26)/t16-,17-
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Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219946
PNG
(CHEMBL391700 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1 |wU:19.23,wD:16.16,(14.09,1.13,;12.77,1.89,;12,.57,;13.55,3.23,;11.44,2.67,;11.44,4.21,;10.11,4.98,;8.78,4.22,;8.79,2.69,;10.11,1.91,;7.45,1.92,;7.44,.38,;6.12,-.38,;4.78,.4,;3.45,-.37,;2.12,.39,;.78,-.38,;-.55,.39,;-1.89,-.38,;-1.89,-1.92,;-.55,-2.69,;.78,-1.92,;-3.22,-2.72,;-4.56,-1.97,;-5.32,-3.3,;-3.8,-.63,;-5.91,-1.2,;-7.23,-1.97,;-8.56,-1.2,;-8.57,.35,;-7.23,1.12,;-5.9,.35,;4.78,1.93,;6.12,2.69,)|
Show InChI InChI=1S/C24H31F3N4O2S/c25-24(26,27)20-3-1-4-22(17-20)31-15-13-30(14-16-31)12-10-19-6-8-21(9-7-19)29-34(32,33)23-5-2-11-28-18-23/h1-5,11,17-19,21,29H,6-10,12-16H2/t19-,21-
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n/an/a 0.300n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382304
PNG
(CHEMBL2024520)
Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1 |r,wU:4.3,wD:7.7,(-1.68,-12.4,;-.35,-11.63,;-.35,-10.09,;.99,-12.4,;2.32,-11.63,;2.32,-10.09,;3.65,-9.31,;4.98,-10.09,;6.31,-9.32,;7.64,-10.1,;8.98,-9.33,;10.3,-10.11,;11.64,-9.35,;11.65,-7.81,;10.32,-7.03,;8.97,-7.79,;12.99,-7.05,;14.33,-7.82,;15.66,-7.05,;15.66,-5.52,;17,-4.76,;14.33,-4.74,;14.34,-3.2,;12.99,-5.51,;4.98,-11.63,;3.65,-12.39,)|
Show InChI InChI=1S/C19H28Cl2N4O/c20-17-6-5-16(13-18(17)21)25-11-9-24(10-12-25)8-7-14-1-3-15(4-2-14)23-19(22)26/h5-6,13-15H,1-4,7-12H2,(H3,22,23,26)/t14-,15-
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n/an/a 0.320n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382313
PNG
(CHEMBL2024518)
Show SMILES CCNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-2.58,-11.25,;-1.25,-10.48,;-1.25,-8.94,;.09,-8.17,;.09,-6.63,;1.42,-8.95,;2.75,-8.17,;2.75,-6.63,;4.08,-5.86,;5.41,-6.63,;6.75,-5.87,;8.08,-6.64,;9.41,-5.88,;10.74,-6.66,;12.07,-5.9,;12.09,-4.36,;10.75,-3.58,;9.41,-4.34,;13.43,-3.56,;14.76,-4.34,;16.1,-3.56,;16.1,-2.01,;14.76,-1.25,;14.77,.29,;13.44,-2.02,;12.09,-1.24,;5.41,-8.17,;4.08,-8.94,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-2-24-21(28)25-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,2,6-15H2,1H3,(H2,24,25,28)/t16-,17-
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Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219943
PNG
(CHEMBL428910 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)
Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1)C#N |wU:19.23,wD:16.16,(15,3.82,;15.01,2.27,;16.55,2.28,;13.47,2.26,;15.01,.73,;16.35,-.04,;16.34,-1.58,;15.01,-2.35,;13.68,-1.56,;13.68,-.03,;12.35,-2.33,;12.34,-3.87,;11.01,-4.63,;9.68,-3.85,;8.35,-4.62,;7.01,-3.85,;5.68,-4.62,;4.34,-3.84,;3,-4.62,;3,-6.17,;4.34,-6.94,;5.68,-6.17,;1.67,-6.94,;.34,-6.17,;-.44,-7.5,;1.11,-4.84,;-1,-5.39,;-.99,-3.84,;-2.32,-3.06,;-3.67,-3.83,;-3.67,-5.39,;-2.33,-6.16,;9.67,-2.32,;11.01,-1.55,;17.67,-2.36,;19,-3.14,)|
Show InChI InChI=1S/C25H30F3N5O2S/c26-25(27,28)21-14-20(17-29)15-23(16-21)33-12-10-32(11-13-33)9-7-19-3-5-22(6-4-19)31-36(34,35)24-2-1-8-30-18-24/h1-2,8,14-16,18-19,22,31H,3-7,9-13H2/t19-,22-
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382299
PNG
(CHEMBL2024513)
Show SMILES FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(-3.18,-12.8,;-3.18,-11.26,;-4.51,-10.49,;-4.52,-12.02,;-1.84,-10.49,;-1.84,-8.95,;-.51,-11.26,;.82,-10.49,;.82,-8.95,;2.15,-8.17,;3.48,-8.95,;4.82,-8.19,;6.15,-8.96,;7.49,-8.19,;8.81,-8.97,;10.14,-8.21,;10.16,-6.67,;8.82,-5.9,;7.48,-6.66,;11.53,-5.97,;12.82,-6.81,;14.2,-6.1,;14.27,-4.57,;12.98,-3.74,;13.06,-2.2,;11.61,-4.44,;10.31,-3.6,;3.48,-10.49,;2.15,-11.25,)|
Show InChI InChI=1S/C20H26Cl2F3N3O/c21-16-2-1-3-17(18(16)22)28-12-10-27(11-13-28)9-8-14-4-6-15(7-5-14)26-19(29)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)/t14-,15-
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n/an/a 0.410n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


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

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382301
PNG
(CHEMBL2024515)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-1.04,-12.4,;.29,-11.63,;1.06,-10.3,;-.48,-10.29,;1.62,-12.4,;2.96,-11.63,;2.96,-10.09,;4.28,-9.31,;5.61,-10.09,;6.95,-9.32,;8.28,-10.1,;9.62,-9.33,;10.94,-10.11,;12.27,-9.35,;12.29,-7.81,;10.96,-7.03,;9.61,-7.79,;13.63,-7.05,;14.97,-7.79,;16.3,-6.99,;16.26,-5.45,;14.92,-4.72,;14.89,-3.18,;13.6,-5.51,;12.25,-4.76,;5.61,-11.63,;4.28,-12.39,)|
Show InChI InChI=1S/C19H29Cl2N3O2S/c1-27(25,26)22-16-7-5-15(6-8-16)9-10-23-11-13-24(14-12-23)18-4-2-3-17(20)19(18)21/h2-4,15-16,22H,5-14H2,1H3/t15-,16-
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Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219944
PNG
(CHEMBL239847 | N-((1r,4r)-4-(2-(4-(4-bromo-2-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Br)cc2OC)CC1 |wU:12.12,wD:15.16,(-10.86,-24,;-10.86,-25.54,;-9.52,-26.31,;-8.18,-25.54,;-6.84,-26.31,;-6.85,-27.85,;-8.18,-28.62,;-9.51,-27.86,;-5.5,-28.62,;-6.26,-29.97,;-4.75,-27.28,;-4.15,-29.39,;-2.81,-28.59,;-2.81,-27.05,;-1.47,-26.28,;-.14,-27.05,;1.19,-26.28,;2.53,-27.05,;3.86,-26.28,;5.2,-27.05,;6.52,-26.29,;6.53,-24.75,;5.2,-23.98,;3.85,-24.74,;7.86,-23.98,;7.86,-22.45,;9.19,-21.69,;10.52,-22.46,;11.86,-21.69,;10.52,-24,;9.19,-24.76,;9.18,-26.3,;7.84,-27.06,;-.14,-28.59,;-1.47,-29.36,)|
Show InChI InChI=1S/C26H36BrN3O4S/c1-33-23-8-10-24(11-9-23)35(31,32)28-22-6-3-20(4-7-22)13-14-29-15-17-30(18-16-29)25-12-5-21(27)19-26(25)34-2/h5,8-12,19-20,22,28H,3-4,6-7,13-18H2,1-2H3/t20-,22-
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219940
PNG
(CHEMBL240271 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(cc3)-n3cccn3)CC2)c1 |wU:19.22,wD:16.15,(19.92,-6.09,;18.59,-6.87,;19.37,-8.2,;17.82,-5.54,;17.26,-7.64,;17.26,-9.19,;15.92,-9.95,;14.6,-9.18,;14.61,-7.64,;13.28,-6.86,;11.94,-7.63,;11.94,-9.17,;10.6,-9.94,;9.27,-9.17,;7.94,-9.94,;6.6,-9.17,;5.27,-9.94,;3.93,-9.17,;2.6,-9.94,;2.6,-11.48,;3.93,-12.25,;5.27,-11.48,;1.26,-12.27,;-.09,-11.52,;-.86,-12.85,;.66,-10.17,;-1.44,-10.74,;-1.43,-9.19,;-2.76,-8.42,;-4.11,-9.19,;-4.1,-10.75,;-2.76,-11.51,;-5.44,-8.42,;-5.61,-6.89,;-7.11,-6.58,;-7.88,-7.91,;-6.85,-9.05,;9.27,-7.63,;10.61,-6.86,;15.93,-6.87,)|
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-4-1-3-25(22-26)21-24-14-19-36(20-15-24)18-13-23-5-7-27(8-6-23)35-40(38,39)29-11-9-28(10-12-29)37-17-2-16-34-37/h1-4,9-12,16-17,22-24,27,35H,5-8,13-15,18-21H2/t23-,27-
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n/an/a 0.5n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382303
PNG
(CHEMBL2024519)
Show SMILES CCN(CC)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(-.58,-8.63,;.75,-7.86,;.75,-6.32,;-.58,-5.55,;-1.92,-6.32,;2.09,-5.55,;2.09,-4.01,;3.42,-6.33,;4.75,-5.55,;4.75,-4.01,;6.08,-3.24,;7.41,-4.01,;8.75,-3.25,;10.08,-4.02,;11.41,-3.26,;12.74,-4.03,;14.07,-3.27,;14.08,-1.73,;12.75,-.96,;11.41,-1.72,;15.42,-.97,;16.73,-1.79,;18.09,-1.06,;18.14,.48,;16.84,1.29,;16.89,2.83,;15.47,.56,;14.17,1.38,;7.41,-5.55,;6.08,-6.32,)|
Show InChI InChI=1S/C23H36Cl2N4O/c1-3-28(4-2)23(30)26-19-10-8-18(9-11-19)12-13-27-14-16-29(17-15-27)21-7-5-6-20(24)22(21)25/h5-7,18-19H,3-4,8-17H2,1-2H3,(H,26,30)/t18-,19-
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n/an/a 0.620n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219945
PNG
(CHEMBL240273 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)
Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc3NC(=O)CCc3c2)CC1)C#N |wU:19.23,wD:16.16,(25.61,-7.7,;24.27,-6.93,;23.5,-8.26,;25.05,-5.6,;22.95,-6.16,;22.95,-4.61,;21.6,-3.84,;20.28,-4.61,;20.29,-6.15,;21.6,-6.92,;18.95,-6.91,;18.94,-8.45,;17.61,-9.21,;16.28,-8.44,;14.94,-9.21,;13.61,-8.44,;12.28,-9.21,;10.94,-8.44,;9.61,-9.21,;9.61,-10.76,;10.94,-11.53,;12.28,-10.76,;8.26,-11.55,;6.9,-10.78,;6.14,-12.13,;7.66,-9.44,;5.57,-10.01,;4.24,-10.78,;2.9,-10.01,;2.9,-8.47,;1.57,-7.72,;1.56,-6.17,;.22,-5.4,;2.89,-5.4,;4.23,-6.17,;4.24,-7.7,;5.58,-8.47,;16.28,-6.9,;17.61,-6.14,;21.6,-2.3,;21.6,-.77,)|
Show InChI InChI=1S/C29H34F3N5O3S/c30-29(31,32)23-15-21(19-33)16-25(18-23)37-13-11-36(12-14-37)10-9-20-1-4-24(5-2-20)35-41(39,40)26-6-7-27-22(17-26)3-8-28(38)34-27/h6-7,15-18,20,24,35H,1-5,8-14H2,(H,34,38)/t20-,24-
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n/an/a 0.700n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219947
PNG
(CHEMBL429093 | N-((1r,4r)-4-(2-(4-(3-cyanophenyl)p...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:14.14,wD:17.18,(13.48,-24.82,;14.81,-24.05,;16.15,-24.81,;16.15,-26.36,;17.49,-27.13,;18.81,-26.36,;18.82,-24.82,;17.49,-24.04,;17.49,-22.5,;18.82,-21.74,;20.16,-27.13,;19.4,-28.47,;20.91,-25.79,;21.51,-27.9,;22.85,-27.1,;22.85,-25.55,;24.19,-24.78,;25.52,-25.55,;26.85,-24.78,;28.19,-25.55,;29.52,-24.78,;30.86,-25.56,;32.19,-24.79,;32.19,-23.25,;30.86,-22.48,;29.52,-23.25,;33.53,-22.49,;34.85,-23.27,;36.19,-22.51,;36.19,-20.96,;34.85,-20.19,;33.52,-20.96,;34.85,-18.65,;34.84,-17.12,;25.52,-27.1,;24.19,-27.87,)|
Show InChI InChI=1S/C27H36N4O4S/c1-34-26-11-10-25(19-27(26)35-2)36(32,33)29-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)24-5-3-4-22(18-24)20-28/h3-5,10-11,18-19,21,23,29H,6-9,12-17H2,1-2H3/t21-,23-
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n/an/a 0.700n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


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

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cel...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382292
PNG
(CHEMBL2024509)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(10.58,-4.56,;11.92,-3.78,;12.68,-2.45,;11.14,-2.45,;13.25,-4.55,;14.58,-3.78,;14.58,-2.24,;15.91,-1.46,;17.24,-2.24,;18.58,-1.47,;19.91,-2.25,;21.24,-1.48,;22.57,-2.26,;23.9,-1.5,;23.91,.04,;22.58,.82,;21.24,.05,;25.25,.8,;26.58,.02,;27.92,.78,;27.93,2.32,;26.59,3.1,;25.26,2.33,;26.6,4.64,;27.93,5.4,;25.27,5.41,;26.58,6.18,;29.25,0,;30.57,-.78,;17.24,-3.78,;15.91,-4.54,)|
Show InChI InChI=1S/C21H29F3N4O2S/c1-31(29,30)26-19-4-2-16(3-5-19)6-7-27-8-10-28(11-9-27)20-13-17(15-25)12-18(14-20)21(22,23)24/h12-14,16,19,26H,2-11H2,1H3/t16-,19-
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Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219935
PNG
(CHEMBL392528 | N-[4-(4-{2-[4-(3-cyano-5-trifluorom...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:14.14,wD:17.18,(-6.61,2.92,;-7.95,2.15,;-9.28,2.92,;-7.95,.62,;-6.61,-.15,;-5.27,.62,;-3.93,-.15,;-3.94,-1.69,;-5.27,-2.46,;-6.61,-1.7,;-2.61,-2.47,;-3.37,-3.81,;-1.86,-1.13,;-1.25,-3.23,;.09,-2.44,;.09,-.89,;1.43,-.12,;2.76,-.89,;4.1,-.12,;5.42,-.89,;6.75,-.12,;8.09,-.89,;9.42,-.13,;9.42,1.41,;8.09,2.18,;6.75,1.42,;10.76,2.17,;10.76,3.7,;12.08,4.47,;13.42,3.7,;13.41,2.16,;12.08,1.39,;14.75,1.38,;16.07,.62,;13.97,.05,;15.53,2.71,;12.08,6.01,;12.07,7.54,;2.76,-2.44,;1.43,-3.2,)|
Show InChI InChI=1S/C28H34F3N5O3S/c1-20(37)33-24-6-8-27(9-7-24)40(38,39)34-25-4-2-21(3-5-25)10-11-35-12-14-36(15-13-35)26-17-22(19-32)16-23(18-26)28(29,30)31/h6-9,16-18,21,25,34H,2-5,10-15H2,1H3,(H,33,37)/t21-,25-
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219949
PNG
(3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)pheno...)
Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc4OCC(=O)Nc4c3)CC2)c1 |wU:19.22,wD:16.15,(24.03,-4.86,;22.7,-5.65,;23.47,-6.98,;21.92,-4.33,;21.37,-6.41,;21.37,-7.96,;20.03,-8.72,;18.71,-7.95,;18.72,-6.41,;17.39,-5.64,;16.06,-6.4,;16.05,-7.94,;14.72,-8.71,;13.39,-7.94,;12.07,-8.71,;10.72,-7.94,;9.4,-8.71,;8.07,-7.94,;6.73,-8.71,;6.73,-10.24,;8.07,-11.01,;9.4,-10.24,;5.4,-11.04,;4.04,-10.29,;3.28,-11.62,;4.79,-8.95,;2.7,-9.51,;1.38,-10.28,;.04,-9.52,;.03,-7.97,;-1.31,-7.2,;-1.31,-5.65,;.04,-4.87,;.04,-3.33,;1.38,-5.65,;1.38,-7.2,;2.7,-7.97,;13.39,-6.4,;14.73,-5.64,;20.03,-5.65,)|
Show InChI InChI=1S/C28H34F3N3O5S/c29-28(30,31)20-2-1-3-23(16-20)39-22-11-14-34(15-12-22)13-10-19-4-6-21(7-5-19)33-40(36,37)24-8-9-26-25(17-24)32-27(35)18-38-26/h1-3,8-9,16-17,19,21-22,33H,4-7,10-15,18H2,(H,32,35)/t19-,21-
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cel...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50070571
PNG
(5-Bromo-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl...)
Show SMILES CCN1CCN(C)C[C@H](C1)NC(=O)c1cc(Br)c(NC)nc1OC
Show InChI InChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m1/s1
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Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382290
PNG
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382293
PNG
(CHEMBL2024506)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)CC1 |r,wU:4.3,wD:7.7,(32.2,-3.32,;33.53,-2.55,;33.53,-1.01,;34.87,-3.32,;36.2,-2.54,;36.2,-1,;37.53,-.23,;38.86,-1,;40.19,-.24,;41.52,-1.01,;42.86,-.25,;44.18,-1.02,;45.52,-.26,;45.53,1.28,;44.2,2.05,;42.85,1.29,;46.87,2.04,;48.2,1.25,;49.53,2.01,;49.54,3.56,;48.21,4.33,;46.87,3.57,;48.21,5.87,;49.55,6.64,;46.88,6.65,;48.2,7.42,;38.86,-2.54,;37.53,-3.31,)|
Show InChI InChI=1S/C21H30F3N3O/c1-16(28)25-19-7-5-17(6-8-19)9-10-26-11-13-27(14-12-26)20-4-2-3-18(15-20)21(22,23)24/h2-4,15,17,19H,5-14H2,1H3,(H,25,28)/t17-,19-
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n/an/a 1.90n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382291
PNG
(CHEMBL2024508)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:4.3,wD:7.7,(-10.34,-4.43,;-9.01,-3.66,;-9.01,-2.12,;-7.67,-4.43,;-6.34,-3.66,;-6.34,-2.12,;-5.01,-1.34,;-3.68,-2.12,;-2.34,-1.35,;-1.01,-2.12,;.32,-1.36,;1.65,-2.14,;2.98,-1.38,;2.99,.16,;1.66,.94,;.32,.18,;4.33,.92,;5.66,.14,;7,.9,;7.01,2.44,;5.67,3.22,;4.34,2.46,;5.67,4.76,;7.01,5.53,;4.34,5.54,;5.66,6.31,;8.32,.13,;9.65,-.65,;-3.68,-3.66,;-5.01,-4.42,)|
Show InChI InChI=1S/C22H29F3N4O/c1-16(30)27-20-4-2-17(3-5-20)6-7-28-8-10-29(11-9-28)21-13-18(15-26)12-19(14-21)22(23,24)25/h12-14,17,20H,2-11H2,1H3,(H,27,30)/t17-,20-
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n/an/a 1.90n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219942
PNG
(CHEMBL240051 | N-((1r,4r)-4-(2-(4-(2,5-dichlorophe...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Nc2cc(Cl)ccc2Cl)CC1 |wU:11.11,wD:14.15,(-11.09,3.77,;-9.76,3,;-8.41,3.77,;-7.08,3,;-7.08,1.45,;-8.41,.68,;-9.75,1.45,;-5.74,.68,;-6.5,-.65,;-4.99,2.02,;-4.38,-.08,;-3.04,.72,;-3.04,2.27,;-1.71,3.03,;-.37,2.27,;.96,3.04,;2.29,2.27,;3.63,3.04,;4.96,2.26,;6.29,3.02,;6.3,4.56,;4.96,5.34,;3.62,4.57,;7.63,5.33,;8.95,4.55,;10.28,5.32,;11.6,4.55,;12.94,5.32,;11.6,3.01,;10.27,2.24,;8.95,3.02,;7.6,2.26,;-.37,.72,;-1.71,-.05,)|
Show InChI InChI=1S/C25H32Cl2FN3O2S/c26-19-3-10-24(27)25(17-19)29-21-12-15-31(16-13-21)14-11-18-1-6-22(7-2-18)30-34(32,33)23-8-4-20(28)5-9-23/h3-5,8-10,17-18,21-22,29-30H,1-2,6-7,11-16H2/t18-,22-
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n/an/a 2n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cel...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219948
PNG
(CHEMBL236407 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cc4ccccc4s3)CC2)c1 |wU:19.22,wD:16.15,(20.29,-30.36,;18.97,-31.13,;19.74,-32.47,;18.19,-29.8,;17.64,-31.9,;17.64,-33.45,;16.29,-34.21,;14.97,-33.44,;14.98,-31.9,;13.65,-31.13,;12.31,-31.9,;12.31,-33.44,;10.97,-34.2,;9.64,-33.43,;8.31,-34.2,;6.97,-33.43,;5.64,-34.2,;4.3,-33.43,;2.97,-34.2,;2.97,-35.75,;4.3,-36.52,;5.64,-35.75,;1.63,-36.54,;.28,-35.78,;-.48,-37.12,;1.05,-34.45,;-1.05,-35.01,;-1.22,-33.47,;-2.73,-33.15,;-3.5,-31.82,;-5.04,-31.82,;-5.81,-33.17,;-5.03,-34.49,;-3.5,-34.48,;-2.47,-35.63,;9.64,-31.89,;10.98,-31.13,;16.3,-31.13,)|
Show InChI InChI=1S/C29H35F3N2O2S2/c30-29(31,32)25-6-3-4-23(19-25)18-22-13-16-34(17-14-22)15-12-21-8-10-26(11-9-21)33-38(35,36)28-20-24-5-1-2-7-27(24)37-28/h1-7,19-22,26,33H,8-18H2/t21-,26-
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n/an/a 2.60n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50241107
PNG
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
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n/an/a 2.68n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219938
PNG
(CHEMBL391699 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1 |wU:19.22,wD:16.15,(22.97,-37.44,;21.64,-38.22,;22.41,-39.55,;20.86,-36.89,;20.31,-38.99,;20.31,-40.54,;18.98,-41.3,;17.64,-40.53,;17.66,-38.99,;16.33,-38.22,;15,-38.98,;14.99,-40.52,;13.66,-41.28,;12.33,-40.51,;11,-41.28,;9.67,-40.51,;8.33,-41.28,;7,-40.51,;5.66,-41.28,;5.66,-42.83,;7,-43.59,;8.33,-42.83,;4.33,-43.62,;2.97,-42.86,;3.55,-41.44,;2.38,-44.28,;1.48,-42.45,;1.09,-40.95,;-.4,-40.55,;-1.5,-41.63,;-1.09,-43.13,;.39,-43.54,;12.32,-38.98,;13.67,-38.21,;18.98,-38.23,)|
Show InChI InChI=1S/C25H32F3N3O3S/c26-25(27,28)20-3-1-4-23(17-20)34-22-11-15-31(16-12-22)14-10-19-6-8-21(9-7-19)30-35(32,33)24-5-2-13-29-18-24/h1-5,13,17-19,21-22,30H,6-12,14-16H2/t19-,21-
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n/an/a 2.80n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219937
PNG
(4-chloro-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(13.27,-8.06,;11.94,-8.84,;12.72,-10.18,;11.17,-7.51,;10.61,-9.61,;10.61,-11.16,;9.27,-11.92,;7.94,-11.15,;7.95,-9.61,;6.63,-8.84,;5.28,-9.6,;5.28,-11.14,;3.95,-11.91,;2.62,-11.14,;1.28,-11.91,;-.05,-11.14,;-1.39,-11.91,;-2.72,-11.14,;-4.06,-11.91,;-4.06,-13.45,;-2.72,-14.22,;-1.39,-13.45,;-5.4,-14.25,;-6.76,-13.49,;-7.52,-14.82,;-6.01,-12.15,;-8.09,-12.71,;-8.1,-11.16,;-9.44,-10.39,;-10.78,-11.16,;-12.11,-10.39,;-10.77,-12.72,;-9.44,-13.48,;2.62,-9.6,;3.95,-8.84,;9.28,-8.84,)|
Show InChI InChI=1S/C26H33ClF3N3O2S/c27-21-6-10-25(11-7-21)36(34,35)32-23-8-4-19(5-9-23)12-15-33-16-13-22(14-17-33)31-24-3-1-2-20(18-24)26(28,29)30/h1-3,6-7,10-11,18-19,22-23,31-32H,4-5,8-9,12-17H2/t19-,23-
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382295
PNG
(CHEMBL2024507)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCC(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:4.3,wD:7.7,(4.59,-14.97,;5.92,-14.2,;5.88,-12.66,;7.25,-14.97,;8.59,-14.19,;8.59,-12.65,;9.92,-11.88,;11.24,-12.65,;12.58,-11.89,;13.91,-12.66,;15.25,-11.9,;16.57,-12.68,;17.91,-11.92,;17.92,-10.38,;19.26,-9.61,;20.59,-10.39,;21.92,-9.63,;23.25,-10.41,;23.25,-11.94,;21.92,-12.71,;20.58,-11.93,;21.92,-14.25,;20.58,-15.02,;23.25,-15.02,;21.93,-15.8,;16.59,-9.6,;15.24,-10.36,;11.24,-14.19,;9.92,-14.96,)|
Show InChI InChI=1S/C23H33F3N2O/c1-17(29)27-22-7-5-18(6-8-22)9-12-28-13-10-19(11-14-28)15-20-3-2-4-21(16-20)23(24,25)26/h2-4,16,18-19,22H,5-15H2,1H3,(H,27,29)/t18-,22-
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n/an/a 3.30n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219936
PNG
(4-bromo-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)
Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc(Br)cc2)CC1)C#N |wU:19.23,wD:16.16,(40.83,-11.4,;39.5,-10.63,;38.73,-11.96,;40.28,-9.3,;38.17,-9.85,;38.18,-8.31,;36.83,-7.54,;35.51,-8.31,;35.52,-9.84,;36.83,-10.62,;34.18,-10.6,;34.18,-12.14,;32.84,-12.9,;31.51,-12.13,;30.17,-12.9,;28.85,-12.13,;27.52,-12.9,;26.18,-12.13,;24.84,-12.9,;24.84,-14.45,;26.18,-15.22,;27.52,-14.45,;23.5,-15.24,;22.14,-14.48,;21.38,-15.82,;22.9,-13.14,;20.81,-13.7,;20.81,-12.16,;19.48,-11.39,;18.14,-12.16,;16.81,-11.39,;18.14,-13.71,;19.47,-14.47,;31.51,-10.59,;32.85,-9.83,;36.83,-6,;36.83,-4.47,)|
Show InChI InChI=1S/C26H30BrF3N4O2S/c27-22-3-7-25(8-4-22)37(35,36)32-23-5-1-19(2-6-23)9-10-33-11-13-34(14-12-33)24-16-20(18-31)15-21(17-24)26(28,29)30/h3-4,7-8,15-17,19,23,32H,1-2,5-6,9-14H2/t19-,23-
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n/an/a 3.30n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50251027
PNG
((R)-(-)-2-(4-Hydroxyphenyl)-apomorphine hydrochlor...)
Show SMILES CN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C23H21NO3/c1-24-9-8-15-10-16(13-2-5-17(25)6-3-13)11-18-21(15)19(24)12-14-4-7-20(26)23(27)22(14)18/h2-7,10-11,19,25-27H,8-9,12H2,1H3/t19-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells


Bioorg Med Chem 16: 3773-9 (2008)


Article DOI: 10.1016/j.bmc.2008.01.057
BindingDB Entry DOI: 10.7270/Q2959HB7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219934
PNG
(CHEMBL399833 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)
Show SMILES FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(43.36,5.75,;42.04,4.97,;42.81,3.63,;41.26,6.29,;40.7,4.2,;40.7,2.65,;39.37,1.88,;38.03,2.66,;38.05,4.2,;36.72,4.97,;35.38,4.21,;35.37,2.67,;34.05,1.9,;32.71,2.67,;31.38,1.9,;30.05,2.67,;28.71,1.9,;27.37,2.67,;26.04,1.9,;26.04,.36,;27.37,-.41,;28.71,.36,;24.69,-.44,;23.34,.32,;22.58,-1.01,;24.09,1.66,;22,1.09,;22.01,2.64,;20.67,3.42,;19.33,2.65,;18,3.41,;19.33,1.09,;20.67,.32,;32.71,4.21,;34.05,4.97,;39.37,4.96,)|
Show InChI InChI=1S/C27H34ClF3N2O2S/c28-24-6-10-26(11-7-24)36(34,35)32-25-8-4-20(5-9-25)12-15-33-16-13-21(14-17-33)18-22-2-1-3-23(19-22)27(29,30)31/h1-3,6-7,10-11,19-21,25,32H,4-5,8-9,12-18H2/t20-,25-
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n/an/a 3.80n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219941
PNG
(CHEMBL240909 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)
Show SMILES Cc1ccc(cn1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:11.11,wD:14.15,(-4.97,-20.83,;-3.63,-21.59,;-3.63,-23.15,;-2.29,-23.91,;-.96,-23.14,;-.95,-21.59,;-2.29,-20.83,;.38,-23.91,;-.38,-25.26,;1.14,-22.58,;1.72,-24.68,;3.06,-23.88,;3.06,-22.33,;4.4,-21.56,;5.73,-22.33,;7.07,-21.56,;8.4,-22.33,;9.74,-21.56,;11.07,-22.33,;12.39,-21.57,;12.4,-20.03,;11.07,-19.26,;9.73,-20.02,;13.74,-19.26,;13.74,-17.73,;15.06,-16.96,;16.41,-17.74,;16.4,-19.28,;15.06,-20.04,;17.73,-20.06,;19.06,-20.82,;16.96,-21.38,;18.51,-18.72,;15.06,-15.42,;15.05,-13.89,;5.73,-23.88,;4.4,-24.65,)|
Show InChI InChI=1S/C26H32F3N5O2S/c1-19-2-7-25(18-31-19)37(35,36)32-23-5-3-20(4-6-23)8-9-33-10-12-34(13-11-33)24-15-21(17-30)14-22(16-24)26(27,28)29/h2,7,14-16,18,20,23,32H,3-6,8-13H2,1H3/t20-,23-
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n/an/a 4.20n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382294
PNG
(CHEMBL2024510)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)CC1 |r,wU:5.4,wD:8.8,(-11.33,-16.02,;-9.99,-15.25,;-9.22,-13.91,;-10.76,-13.92,;-8.65,-16.02,;-7.32,-15.24,;-7.32,-13.7,;-5.99,-12.93,;-4.66,-13.7,;-3.32,-12.94,;-1.99,-13.71,;-.66,-12.95,;.67,-13.73,;2,-12.97,;2.01,-11.43,;.68,-10.65,;-.66,-11.41,;3.35,-10.67,;4.68,-11.45,;6.02,-10.69,;6.03,-9.15,;4.69,-8.37,;3.36,-9.13,;4.69,-6.83,;6.03,-6.06,;3.36,-6.05,;4.68,-5.28,;-4.66,-15.24,;-5.99,-16.01,)|
Show InChI InChI=1S/C20H30F3N3O2S/c1-29(27,28)24-18-7-5-16(6-8-18)9-10-25-11-13-26(14-12-25)19-4-2-3-17(15-19)20(21,22)23/h2-4,15-16,18,24H,5-14H2,1H3/t16-,18-
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n/an/a 4.80n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382298
PNG
(CHEMBL2024512)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:6.5,wD:9.9,(-4.08,-17.95,;-2.74,-17.17,;-1.41,-17.94,;-.08,-17.17,;-.08,-15.63,;1.26,-17.94,;2.59,-17.17,;2.59,-15.63,;3.92,-14.85,;5.25,-15.63,;6.58,-14.86,;7.92,-15.63,;9.25,-14.87,;10.58,-15.65,;11.91,-14.89,;11.92,-13.35,;13.26,-12.59,;14.59,-13.36,;15.92,-12.6,;17.26,-13.38,;17.25,-14.91,;15.92,-15.68,;14.58,-14.91,;15.92,-17.22,;14.59,-17.99,;17.25,-17.99,;15.94,-18.77,;10.59,-12.57,;9.25,-13.33,;5.25,-17.17,;3.92,-17.93,)|
Show InChI InChI=1S/C23H34F3N3O2/c1-2-31-22(30)27-21-8-6-18(7-9-21)10-11-28-12-14-29(15-13-28)17-19-4-3-5-20(16-19)23(24,25)26/h3-5,16,18,21H,2,6-15,17H2,1H3,(H,27,30)/t18-,21-
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n/an/a 5.10n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382296
PNG
(CHEMBL2021954)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)CC1 |r,wU:4.3,wD:7.7,(25.63,-15.38,;26.96,-14.61,;26.92,-13.07,;28.29,-15.38,;29.63,-14.61,;29.63,-13.07,;30.95,-12.29,;32.28,-13.07,;33.62,-12.3,;34.95,-13.07,;36.29,-12.31,;37.61,-13.09,;38.94,-12.33,;38.96,-10.79,;37.63,-10.01,;36.28,-10.77,;40.3,-10.03,;41.62,-10.81,;42.96,-10.04,;44.29,-10.82,;44.29,-12.35,;42.96,-13.12,;41.62,-12.35,;42.96,-14.66,;41.62,-15.43,;44.29,-15.43,;42.97,-16.21,;32.28,-14.61,;30.95,-15.37,)|
Show InChI InChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28)/t17-,19-
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n/an/a 5.30n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50219950
PNG
(3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)
Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N |wU:19.23,wD:16.16,(20.94,-42.03,;19.62,-41.26,;18.85,-42.59,;20.4,-39.93,;18.29,-40.49,;18.29,-38.95,;16.96,-38.17,;15.63,-38.94,;15.63,-40.47,;16.95,-41.25,;14.29,-41.24,;14.29,-42.78,;12.96,-43.54,;11.62,-42.76,;10.29,-43.53,;8.95,-42.76,;7.63,-43.53,;6.29,-42.77,;4.95,-43.53,;4.95,-45.08,;6.29,-45.85,;7.63,-45.08,;3.61,-45.88,;2.26,-45.11,;1.5,-46.46,;3.01,-43.77,;.91,-44.34,;-.41,-45.11,;-1.74,-44.34,;-1.75,-42.8,;-.41,-42.03,;.92,-42.8,;-.41,-40.49,;-.41,-38.94,;11.62,-41.23,;12.97,-40.46,;16.95,-36.63,;16.95,-35.1,)|
Show InChI InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24-
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n/an/a 5.80n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5340-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155937
PNG
(US9018213, 7)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H32N2O4/c30-19-20-6-1-2-9-25(20)29-15-13-28(14-16-29)12-3-4-17-32-21-10-11-23-22-7-5-8-24(22)27(31)33-26(23)18-21/h1-2,6,9-11,18,30H,3-5,7-8,12-17,19H2
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n/an/a 7.40n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
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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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...


Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50448210
PNG
(CHEMBL3120697 | US9018213, 15)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
Show InChI InChI=1S/C28H28ClFN2O4/c29-25-23(9-8-20-19-4-3-5-21(19)28(33)35-27(20)25)34-15-2-1-12-32-13-10-17(11-14-32)26-22-7-6-18(30)16-24(22)36-31-26/h6-9,16-17H,1-5,10-15H2
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n/an/a 8.60n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155935
PNG
(US9018213, 5)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H27FN2O4/c28-18-5-7-23-25(15-18)34-29-26(23)17-9-12-30(13-10-17)11-2-14-32-19-6-8-21-20-3-1-4-22(20)27(31)33-24(21)16-19/h5-8,15-17H,1-4,9-14H2
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n/an/a 8.90n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382297
PNG
(CHEMBL2024511)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:5.4,wD:8.8,(-11.08,-24.94,;-9.74,-24.17,;-8.97,-22.83,;-10.51,-22.84,;-8.41,-24.94,;-7.08,-24.17,;-7.08,-22.63,;-5.75,-21.85,;-4.42,-22.63,;-3.08,-21.86,;-1.75,-22.63,;-.42,-21.87,;.91,-22.65,;2.24,-21.89,;2.25,-20.35,;3.59,-19.59,;4.92,-20.36,;6.26,-19.6,;7.59,-20.38,;7.58,-21.91,;6.25,-22.68,;4.91,-21.91,;6.25,-24.22,;4.92,-24.99,;7.59,-24.99,;6.27,-25.77,;.92,-19.57,;-.42,-20.33,;-4.42,-24.17,;-5.75,-24.93,)|
Show InChI InChI=1S/C21H32F3N3O2S/c1-30(28,29)25-20-7-5-17(6-8-20)9-10-26-11-13-27(14-12-26)16-18-3-2-4-19(15-18)21(22,23)24/h2-4,15,17,20,25H,5-14,16H2,1H3/t17-,20-
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n/an/a 11n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155947
PNG
(US9018213, 19)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C28H34N2O4/c31-20-21-7-1-4-10-26(21)30-16-14-29(15-17-30)13-5-6-18-33-22-11-12-24-23-8-2-3-9-25(23)28(32)34-27(24)19-22/h1,4,7,10-12,19,31H,2-3,5-6,8-9,13-18,20H2
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n/an/a 13.2n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50070566
PNG
(5-Bromo-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl...)
Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Br)c(NC)nc1OC
Show InChI InChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1
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n/an/a 14.3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50251026
PNG
((R)-(-)-2-Phenyl-apomorphine hydrochloride | CHEMB...)
Show SMILES CN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccccc1 |r|
Show InChI InChI=1S/C23H21NO2/c1-24-10-9-16-11-17(14-5-3-2-4-6-14)12-18-21(16)19(24)13-15-7-8-20(25)23(26)22(15)18/h2-8,11-12,19,25-26H,9-10,13H2,1H3/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells


Bioorg Med Chem 16: 3773-9 (2008)


Article DOI: 10.1016/j.bmc.2008.01.057
BindingDB Entry DOI: 10.7270/Q2959HB7
More data for this
Ligand-Target Pair
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