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Compile Data Set for Download or QSAR

Found 280 hits with Last Name = 'levant' and Initial = 'b'   
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


(Rattus norvegicus (Rat))
BDBM50253328
PNG
((S)-N-(4-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H32N4OS/c1-2-14-29(21-11-12-22-23(17-21)31-25(26)28-22)15-6-5-13-27-24(30)20-10-9-18-7-3-4-8-19(18)16-20/h3-4,7-10,16,21H,2,5-6,11-15,17H2,1H3,(H2,26,28)(H,27,30)/t21-/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.0860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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0.133n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.134n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [125I]NCQ298 binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


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



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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0.265n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400513
PNG
(CHEMBL2203404)
Show SMILES CCCN(CC[C@H]1C[C@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,8.10,wD:23.25,(9.6,-44.79,;9.61,-43.25,;8.27,-42.48,;8.28,-40.94,;9.61,-40.17,;10.94,-40.94,;12.28,-40.18,;12.68,-38.7,;14.16,-39.1,;13.76,-40.58,;15.5,-38.33,;16.83,-39.11,;16.82,-40.65,;18.2,-38.37,;18.19,-36.83,;19.52,-36.07,;20.84,-36.83,;22.17,-36.06,;23.51,-36.84,;23.5,-38.38,;22.16,-39.14,;20.84,-38.36,;19.52,-39.12,;6.94,-40.17,;6.94,-38.63,;5.61,-37.85,;4.28,-38.62,;2.81,-38.14,;1.9,-39.39,;.36,-39.39,;2.81,-40.65,;4.28,-40.17,;5.61,-40.93,)|
Show InChI InChI=1S/C27H34N4OS/c1-2-12-31(23-9-10-24-25(17-23)33-27(28)30-24)13-11-18-14-22(15-18)29-26(32)21-8-7-19-5-3-4-6-20(19)16-21/h3-8,16,18,22-23H,2,9-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,22+,23-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391425
PNG
(CHEMBL2146499)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1Cl)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-1.75,-4.56,;-1.74,-3.01,;-3.07,-2.23,;-3.05,-.69,;-1.71,.07,;-.38,-.71,;.96,.05,;2.28,-.75,;3.62,.01,;3.64,1.55,;2.31,2.33,;.96,1.58,;4.99,2.3,;6.31,1.52,;7.07,.19,;5.53,.19,;7.66,2.27,;7.67,3.8,;9.01,4.56,;10.35,3.76,;10.32,2.22,;8.97,1.47,;8.94,-.07,;-4.32,.19,;-3.86,1.66,;-4.89,2.79,;-6.39,2.46,;-7.64,3.36,;-8.88,2.45,;-10.35,2.91,;-8.4,.98,;-6.85,.99,;-5.82,-.13,)|
Show InChI InChI=1S/C23H34ClN5O2S2/c1-2-13-29(18-9-10-19-20(15-18)32-23(25)27-19)14-11-16-5-7-17(8-6-16)28-33(30,31)21-4-3-12-26-22(21)24/h3-4,12,16-18,28H,2,5-11,13-15H2,1H3,(H2,25,27)/t16-,17-,18-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253393
PNG
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)|
Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400512
PNG
(CHEMBL2203405)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.11,6.6,wD:24.26,6.5,(37,-43.99,;37,-42.44,;35.67,-41.67,;35.67,-40.13,;37.01,-39.36,;38.34,-40.14,;39.67,-39.37,;39.66,-40.91,;41.16,-39.77,;41.56,-38.29,;40.07,-37.89,;42.9,-37.52,;44.23,-38.3,;44.22,-39.84,;45.59,-37.56,;45.59,-36.03,;46.91,-35.26,;48.23,-36.02,;49.56,-35.25,;50.9,-36.03,;50.89,-37.57,;49.56,-38.33,;48.23,-37.55,;46.92,-38.32,;34.34,-39.36,;34.34,-37.82,;33.01,-37.04,;31.68,-37.81,;30.21,-37.33,;29.3,-38.59,;27.76,-38.59,;30.21,-39.84,;31.68,-39.36,;33.01,-40.12,)|
Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400512
PNG
(CHEMBL2203405)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.11,6.6,wD:24.26,6.5,(37,-43.99,;37,-42.44,;35.67,-41.67,;35.67,-40.13,;37.01,-39.36,;38.34,-40.14,;39.67,-39.37,;39.66,-40.91,;41.16,-39.77,;41.56,-38.29,;40.07,-37.89,;42.9,-37.52,;44.23,-38.3,;44.22,-39.84,;45.59,-37.56,;45.59,-36.03,;46.91,-35.26,;48.23,-36.02,;49.56,-35.25,;50.9,-36.03,;50.89,-37.57,;49.56,-38.33,;48.23,-37.55,;46.92,-38.32,;34.34,-39.36,;34.34,-37.82,;33.01,-37.04,;31.68,-37.81,;30.21,-37.33,;29.3,-38.59,;27.76,-38.59,;30.21,-39.84,;31.68,-39.36,;33.01,-40.12,)|
Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400514
PNG
(CHEMBL2203403)
Show SMILES CCCN(CC[C@H]1C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.10,wD:23.25,6.5,(39.2,-32.88,;39.2,-31.34,;37.87,-30.56,;37.87,-29.02,;39.21,-28.26,;40.54,-29.03,;41.87,-28.26,;43.36,-28.67,;43.76,-27.18,;42.27,-26.78,;45.1,-26.42,;46.43,-27.19,;46.42,-28.73,;47.79,-26.45,;47.79,-24.92,;49.11,-24.15,;50.43,-24.92,;51.76,-24.14,;53.1,-24.92,;53.09,-26.46,;51.75,-27.22,;50.43,-26.44,;49.12,-27.21,;36.54,-28.25,;36.54,-26.71,;35.21,-25.93,;33.88,-26.7,;32.41,-26.23,;31.5,-27.48,;29.96,-27.48,;32.41,-28.73,;33.88,-28.25,;35.21,-29.01,)|
Show InChI InChI=1S/C27H34N4OS/c1-2-12-31(23-9-10-24-25(17-23)33-27(28)30-24)13-11-18-14-22(15-18)29-26(32)21-8-7-19-5-3-4-6-20(19)16-21/h3-8,16,18,22-23H,2,9-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,22-,23-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253473
PNG
(CHEMBL492883 | N-(4-{2-[((S)-2-Amino-4,5,6,7-tetra...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,23.24,(-.41,-16.74,;-.41,-15.2,;-1.74,-14.43,;-1.74,-12.89,;-.41,-12.12,;.93,-12.89,;2.26,-12.12,;2.25,-10.58,;3.59,-9.82,;4.93,-10.59,;4.92,-12.14,;3.59,-12.9,;6.26,-9.83,;7.59,-10.6,;7.59,-12.14,;8.93,-9.83,;10.26,-10.6,;11.6,-9.83,;12.92,-10.61,;14.26,-9.85,;14.26,-8.3,;12.92,-7.53,;11.59,-8.3,;-3.07,-12.11,;-3.07,-10.57,;-4.42,-9.79,;-5.75,-10.56,;-7.23,-10.08,;-8.15,-11.34,;-9.69,-11.34,;-7.23,-12.6,;-5.75,-12.11,;-4.42,-12.88,)|
Show InChI InChI=1S/C27H38N4OS/c1-2-17-31(23-13-14-24-25(19-23)33-27(28)30-24)18-16-21-8-11-22(12-9-21)29-26(32)15-10-20-6-4-3-5-7-20/h3-7,10,15,21-23H,2,8-9,11-14,16-19H2,1H3,(H2,28,30)(H,29,32)/b15-10+/t21-,22-,23-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
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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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400511
PNG
(CHEMBL2203406)
Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253472
PNG
(Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)|
Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391427
PNG
(CHEMBL2146515)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)nc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-2.43,-4.56,;-2.41,-3.01,;-3.74,-2.23,;-3.73,-.69,;-2.39,.07,;-1.06,-.71,;.28,.05,;1.61,-.75,;2.94,.01,;2.97,1.55,;1.64,2.33,;.29,1.58,;4.31,2.3,;5.63,1.52,;6.39,.19,;4.86,.19,;6.98,2.27,;7,3.8,;8.34,4.56,;9.67,3.76,;11.02,4.51,;9.64,2.22,;8.3,1.47,;-4.99,.19,;-4.53,1.66,;-5.57,2.79,;-7.06,2.46,;-8.31,3.36,;-9.55,2.45,;-11.02,2.91,;-9.07,.98,;-7.52,.99,;-6.49,-.13,)|
Show InChI InChI=1S/C23H34ClN5O2S2/c1-2-12-29(18-7-9-20-21(14-18)32-23(25)27-20)13-11-16-3-5-17(6-4-16)28-33(30,31)19-8-10-22(24)26-15-19/h8,10,15-18,28H,2-7,9,11-14H2,1H3,(H2,25,27)/t16-,17-,18-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391396
PNG
(CHEMBL2146511)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1Cl)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-1.75,-4.55,;-1.74,-3.01,;-3.07,-2.23,;-3.05,-.69,;-1.71,.07,;-.38,-.71,;.96,.05,;2.28,-.75,;3.62,.01,;3.64,1.55,;2.31,2.33,;.96,1.58,;4.98,2.3,;6.3,1.52,;7.06,.19,;5.53,.19,;7.65,2.27,;7.67,3.8,;9.01,4.55,;10.34,3.76,;10.31,2.21,;8.96,1.47,;8.93,-.07,;-4.32,.19,;-3.85,1.66,;-4.89,2.79,;-6.38,2.46,;-7.64,3.36,;-8.87,2.44,;-10.34,2.91,;-8.39,.98,;-6.84,.99,;-5.81,-.13,)|
Show InChI InChI=1S/C24H35ClN4O2S2/c1-2-14-29(19-11-12-21-22(16-19)32-24(26)27-21)15-13-17-7-9-18(10-8-17)28-33(30,31)23-6-4-3-5-20(23)25/h3-6,17-19,28H,2,7-16H2,1H3,(H2,26,27)/t17-,18-,19-/m0/s1
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0.680n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391423
PNG
(CHEMBL2146508)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-2.4,-4.55,;-2.39,-3.01,;-3.71,-2.23,;-3.7,-.69,;-2.36,.07,;-1.03,-.71,;.31,.05,;1.63,-.75,;2.97,.01,;2.99,1.55,;1.67,2.33,;.32,1.58,;4.34,2.3,;5.66,1.52,;6.42,.19,;4.89,.19,;7.01,2.27,;7.02,3.8,;8.37,4.55,;9.7,3.76,;9.67,2.22,;10.99,1.42,;8.32,1.47,;-4.96,.19,;-4.5,1.66,;-5.54,2.79,;-7.03,2.46,;-8.28,3.36,;-9.52,2.44,;-10.99,2.91,;-9.04,.98,;-7.49,.99,;-6.46,-.13,)|
Show InChI InChI=1S/C24H35FN4O2S2/c1-2-13-29(20-10-11-22-23(16-20)32-24(26)27-22)14-12-17-6-8-19(9-7-17)28-33(30,31)21-5-3-4-18(25)15-21/h3-5,15,17,19-20,28H,2,6-14,16H2,1H3,(H2,26,27)/t17-,19-,20-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391401
PNG
(CHEMBL2146503)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(c1)-c1noc(C)n1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:27.29,6.5,(-3.55,-4.55,;-3.54,-3.01,;-4.86,-2.23,;-4.85,-.69,;-3.51,.07,;-2.18,-.72,;-.84,.04,;.48,-.75,;1.82,0,;1.84,1.54,;.51,2.33,;-.83,1.58,;3.18,2.3,;4.51,1.51,;4.49,-.03,;5.85,2.26,;5.86,3.8,;7.2,4.55,;8.53,3.77,;8.51,2.23,;7.17,1.47,;9.76,1.34,;11.22,1.82,;12.14,.58,;11.24,-.67,;11.72,-2.14,;9.77,-.2,;-6.11,.19,;-5.65,1.65,;-6.68,2.79,;-8.18,2.45,;-9.43,3.36,;-10.67,2.44,;-12.14,2.91,;-10.19,.98,;-8.64,.99,;-7.61,-.14,)|
Show InChI InChI=1S/C28H38N6O2S/c1-3-14-34(23-11-12-24-25(17-23)37-28(29)32-24)15-13-19-7-9-22(10-8-19)31-27(35)21-6-4-5-20(16-21)26-30-18(2)36-33-26/h4-6,16,19,22-23H,3,7-15,17H2,1-2H3,(H2,29,32)(H,31,35)/t19-,22-,23-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253394
PNG
(CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...)
Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)|
Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391424
PNG
(CHEMBL2146509)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC)cc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-3.09,-4.55,;-3.07,-3.01,;-4.4,-2.23,;-4.39,-.69,;-3.05,.07,;-1.72,-.71,;-.38,.05,;.95,-.75,;2.28,.01,;2.3,1.55,;.98,2.33,;-.37,1.58,;3.65,2.3,;4.97,1.52,;5.73,.19,;4.19,.19,;6.31,2.27,;6.33,3.8,;7.67,4.55,;9,3.76,;10.35,4.51,;11.67,3.71,;8.98,2.21,;7.63,1.47,;-5.65,.19,;-5.19,1.66,;-6.22,2.79,;-7.71,2.46,;-8.97,3.36,;-10.2,2.44,;-11.67,2.91,;-9.73,.98,;-8.18,.99,;-7.15,-.13,)|
Show InChI InChI=1S/C25H38N4O3S2/c1-3-15-29(20-8-13-23-24(17-20)33-25(26)27-23)16-14-18-4-6-19(7-5-18)28-34(30,31)22-11-9-21(32-2)10-12-22/h9-12,18-20,28H,3-8,13-17H2,1-2H3,(H2,26,27)/t18-,19-,20-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
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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0.780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
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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0.780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391406
PNG
(CHEMBL2146506)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:22.23,6.5,(-1.75,-4.55,;-1.74,-3.01,;-3.07,-2.23,;-3.05,-.69,;-1.71,.07,;-.38,-.71,;.96,.05,;2.28,-.75,;3.62,.01,;3.64,1.55,;2.31,2.33,;.96,1.58,;4.98,2.3,;6.3,1.52,;7.06,.19,;5.53,.19,;7.65,2.27,;7.67,3.8,;9.01,4.55,;10.34,3.76,;10.31,2.21,;8.96,1.47,;-4.32,.19,;-3.85,1.66,;-4.89,2.79,;-6.38,2.46,;-7.64,3.36,;-8.87,2.44,;-10.34,2.91,;-8.39,.98,;-6.84,.99,;-5.81,-.13,)|
Show InChI InChI=1S/C24H36N4O2S2/c1-2-15-28(20-12-13-22-23(17-20)31-24(25)26-22)16-14-18-8-10-19(11-9-18)27-32(29,30)21-6-4-3-5-7-21/h3-7,18-20,27H,2,8-17H2,1H3,(H2,25,26)/t18-,19-,20-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253393
PNG
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)|
Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133923
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
Show InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
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0.810n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391397
PNG
(CHEMBL2146512)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(C)c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-2.4,-4.55,;-2.39,-3.01,;-3.71,-2.23,;-3.7,-.69,;-2.36,.07,;-1.03,-.71,;.31,.05,;1.63,-.75,;2.97,.01,;2.99,1.55,;1.67,2.33,;.32,1.58,;4.34,2.3,;5.66,1.52,;6.42,.19,;4.89,.19,;7.01,2.27,;7.02,3.8,;8.37,4.55,;9.7,3.76,;9.67,2.22,;10.99,1.42,;8.32,1.47,;-4.96,.19,;-4.5,1.66,;-5.53,2.79,;-7.03,2.46,;-8.28,3.36,;-9.52,2.44,;-10.99,2.91,;-9.04,.98,;-7.49,.99,;-6.46,-.13,)|
Show InChI InChI=1S/C25H38N4O2S2/c1-3-14-29(21-11-12-23-24(17-21)32-25(26)27-23)15-13-19-7-9-20(10-8-19)28-33(30,31)22-6-4-5-18(2)16-22/h4-6,16,19-21,28H,3,7-15,17H2,1-2H3,(H2,26,27)/t19-,20-,21-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391403
PNG
(CHEMBL2146516)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnccc1Cl)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-1.75,-4.57,;-1.74,-3.03,;-3.07,-2.25,;-3.05,-.71,;-1.71,.05,;-.38,-.73,;.96,.03,;2.28,-.76,;3.62,-.01,;3.64,1.53,;2.31,2.32,;.96,1.56,;4.99,2.28,;6.31,1.5,;7.07,.17,;5.53,.18,;7.66,2.25,;8.97,1.45,;10.32,2.2,;10.35,3.74,;9.01,4.54,;7.67,3.79,;6.34,4.57,;-4.32,.18,;-3.86,1.64,;-4.89,2.78,;-6.39,2.44,;-7.64,3.34,;-8.88,2.43,;-10.35,2.9,;-8.4,.96,;-6.85,.98,;-5.82,-.15,)|
Show InChI InChI=1S/C23H34ClN5O2S2/c1-2-12-29(18-7-8-20-21(14-18)32-23(25)27-20)13-10-16-3-5-17(6-4-16)28-33(30,31)22-15-26-11-9-19(22)24/h9,11,15-18,28H,2-8,10,12-14H2,1H3,(H2,25,27)/t16-,17-,18-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400515
PNG
(CHEMBL2203402)
Show SMILES CCCN(CC[C@]1(O)CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,10.13,wD:26.28,6.6,(11.35,-34.66,;11.36,-33.12,;10.02,-32.35,;10.03,-30.81,;11.36,-30.04,;12.69,-30.81,;14.03,-30.05,;14.02,-31.58,;15.36,-30.83,;16.69,-30.07,;16.7,-28.53,;15.37,-27.75,;14.02,-28.51,;18.04,-27.76,;19.37,-28.54,;19.36,-30.08,;20.73,-27.8,;20.73,-26.26,;22.05,-25.5,;23.37,-26.26,;24.7,-25.49,;26.04,-26.26,;26.03,-27.81,;24.7,-28.57,;23.37,-27.79,;22.06,-28.55,;8.69,-30.04,;8.69,-28.5,;7.36,-27.72,;6.04,-28.49,;4.56,-28.01,;3.65,-29.26,;2.11,-29.26,;4.56,-30.52,;6.04,-30.04,;7.36,-30.8,)|
Show InChI InChI=1S/C29H38N4O2S/c1-2-16-33(24-9-10-25-26(19-24)36-28(30)32-25)17-15-29(35)13-11-23(12-14-29)31-27(34)22-8-7-20-5-3-4-6-21(20)18-22/h3-8,18,23-24,35H,2,9-17,19H2,1H3,(H2,30,32)(H,31,34)/t23-,24-,29-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391419
PNG
(CHEMBL2146510)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-2.43,-4.55,;-2.41,-3.01,;-3.74,-2.23,;-3.73,-.69,;-2.39,.07,;-1.06,-.71,;.28,.05,;1.61,-.75,;2.94,.01,;2.97,1.55,;1.64,2.33,;.29,1.58,;4.31,2.3,;5.63,1.52,;6.39,.19,;4.86,.19,;6.98,2.27,;6.99,3.8,;8.34,4.55,;9.67,3.76,;11.02,4.51,;9.64,2.22,;8.29,1.47,;-4.99,.19,;-4.53,1.66,;-5.56,2.79,;-7.06,2.46,;-8.31,3.36,;-9.55,2.44,;-11.02,2.91,;-9.07,.98,;-7.52,.99,;-6.49,-.13,)|
Show InChI InChI=1S/C24H35ClN4O2S2/c1-2-14-29(20-9-12-22-23(16-20)32-24(26)27-22)15-13-17-3-7-19(8-4-17)28-33(30,31)21-10-5-18(25)6-11-21/h5-6,10-11,17,19-20,28H,2-4,7-9,12-16H2,1H3,(H2,26,27)/t17-,19-,20-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253473
PNG
(CHEMBL492883 | N-(4-{2-[((S)-2-Amino-4,5,6,7-tetra...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,23.24,(-.41,-16.74,;-.41,-15.2,;-1.74,-14.43,;-1.74,-12.89,;-.41,-12.12,;.93,-12.89,;2.26,-12.12,;2.25,-10.58,;3.59,-9.82,;4.93,-10.59,;4.92,-12.14,;3.59,-12.9,;6.26,-9.83,;7.59,-10.6,;7.59,-12.14,;8.93,-9.83,;10.26,-10.6,;11.6,-9.83,;12.92,-10.61,;14.26,-9.85,;14.26,-8.3,;12.92,-7.53,;11.59,-8.3,;-3.07,-12.11,;-3.07,-10.57,;-4.42,-9.79,;-5.75,-10.56,;-7.23,-10.08,;-8.15,-11.34,;-9.69,-11.34,;-7.23,-12.6,;-5.75,-12.11,;-4.42,-12.88,)|
Show InChI InChI=1S/C27H38N4OS/c1-2-17-31(23-13-14-24-25(19-23)33-27(28)30-24)18-16-21-8-11-22(12-9-21)29-26(32)15-10-20-6-4-3-5-7-20/h3-7,10,15,21-23H,2,8-9,11-14,16-19H2,1H3,(H2,28,30)(H,29,32)/b15-10+/t21-,22-,23-/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391413
PNG
(CHEMBL2148204)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccc(F)cc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-3.66,-4.61,;-3.66,-3.07,;-5,-2.3,;-5,-.76,;-3.67,.01,;-2.33,-.76,;-1,.02,;.33,-.76,;1.66,.01,;1.66,1.55,;.33,2.32,;-1.01,1.55,;3,2.32,;4.33,1.54,;4.33,0,;5.66,2.31,;7,1.54,;8.33,2.31,;9.65,1.53,;10.99,2.3,;10.99,3.84,;12.33,4.61,;9.65,4.61,;8.32,3.84,;-6.27,.11,;-5.83,1.57,;-6.88,2.7,;-8.36,2.35,;-9.63,3.23,;-10.85,2.31,;-12.33,2.76,;-10.36,.85,;-8.81,.88,;-7.77,-.24,)|
Show InChI InChI=1S/C27H37FN4OS/c1-2-16-32(23-12-13-24-25(18-23)34-27(29)31-24)17-15-20-5-10-22(11-6-20)30-26(33)14-7-19-3-8-21(28)9-4-19/h3-4,7-9,14,20,22-23H,2,5-6,10-13,15-18H2,1H3,(H2,29,31)(H,30,33)/b14-7+/t20-,22-,23-/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253393
PNG
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)|
Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133933
PNG
((R)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCOC2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14?/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391411
PNG
(CHEMBL2148219)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(c1)-n1ccnc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:26.28,6.5,(-3.58,-4.55,;-3.57,-3.01,;-4.89,-2.23,;-4.88,-.69,;-3.54,.07,;-2.21,-.72,;-.87,.04,;.45,-.75,;1.79,0,;1.81,1.54,;.48,2.33,;-.87,1.58,;3.15,2.3,;4.48,1.51,;4.46,-.03,;5.82,2.26,;5.83,3.8,;7.17,4.55,;8.5,3.77,;8.47,2.23,;7.14,1.47,;9.79,1.45,;11.26,1.93,;12.17,.69,;11.26,-.56,;9.8,-.09,;-6.14,.19,;-5.68,1.65,;-6.72,2.79,;-8.21,2.45,;-9.46,3.36,;-10.7,2.44,;-12.17,2.91,;-10.22,.98,;-8.67,.99,;-7.64,-.14,)|
Show InChI InChI=1S/C28H38N6OS/c1-2-14-33(24-10-11-25-26(18-24)36-28(29)32-25)15-12-20-6-8-22(9-7-20)31-27(35)21-4-3-5-23(17-21)34-16-13-30-19-34/h3-5,13,16-17,19-20,22,24H,2,6-12,14-15,18H2,1H3,(H2,29,32)(H,31,35)/t20-,22-,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391410
PNG
(CHEMBL2146481)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:23.24,6.5,(-2.4,-4.55,;-2.39,-3.01,;-3.71,-2.23,;-3.7,-.69,;-2.36,.07,;-1.03,-.71,;.31,.05,;1.63,-.75,;2.97,.01,;2.99,1.55,;1.67,2.33,;.32,1.58,;4.34,2.3,;5.66,1.52,;6.42,.19,;4.89,.19,;7.01,2.27,;7.02,3.8,;8.37,4.55,;9.7,3.76,;9.67,2.22,;10.99,1.42,;8.32,1.47,;-4.96,.19,;-4.5,1.66,;-5.53,2.79,;-7.03,2.46,;-8.28,3.36,;-9.52,2.44,;-10.99,2.91,;-9.04,.98,;-7.49,.99,;-6.46,-.13,)|
Show InChI InChI=1S/C24H35ClN4O2S2/c1-2-13-29(20-10-11-22-23(16-20)32-24(26)27-22)14-12-17-6-8-19(9-7-17)28-33(30,31)21-5-3-4-18(25)15-21/h3-5,15,17,19-20,28H,2,6-14,16H2,1H3,(H2,26,27)/t17-,19-,20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
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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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity D3 [3H]-PD 128907 receptor was determined using caudate-putamen of adult male Spragueo?=Dawley rats


Bioorg Med Chem Lett 15: 1701-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.037
BindingDB Entry DOI: 10.7270/Q2862FXD
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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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral striatum


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
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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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine D3 receptor in ventral striatal membranes of sprague-dawley rat brain by using [3H]-PD 128907 as radioligand


Bioorg Med Chem Lett 14: 5813-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.047
BindingDB Entry DOI: 10.7270/Q2KP81P6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391422
PNG
(CHEMBL2148209)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1Cl)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-2.99,-4.61,;-3,-3.07,;-4.33,-2.3,;-4.34,-.76,;-3,.01,;-1.67,-.76,;-.34,.02,;1,-.76,;2.32,.01,;2.33,1.55,;.99,2.32,;-.35,1.55,;3.66,2.32,;5,1.54,;4.99,0,;6.33,2.31,;7.66,1.54,;9,2.31,;8.99,3.84,;10.32,4.61,;11.66,3.84,;11.66,2.3,;10.32,1.53,;10.31,-.01,;-5.61,.11,;-5.16,1.57,;-6.21,2.7,;-7.7,2.35,;-8.96,3.23,;-10.19,2.31,;-11.66,2.76,;-9.69,.85,;-8.14,.88,;-7.1,-.24,)|
Show InChI InChI=1S/C27H37ClN4OS/c1-2-16-32(22-12-13-24-25(18-22)34-27(29)31-24)17-15-19-7-10-21(11-8-19)30-26(33)14-9-20-5-3-4-6-23(20)28/h3-6,9,14,19,21-22H,2,7-8,10-13,15-18H2,1H3,(H2,29,31)(H,30,33)/b14-9+/t19-,21-,22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391421
PNG
(CHEMBL2148208)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1cccc(Cl)c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-3.66,-4.61,;-3.66,-3.07,;-5,-2.3,;-5,-.76,;-3.67,.01,;-2.33,-.76,;-1,.02,;.33,-.76,;1.66,.01,;1.66,1.55,;.33,2.32,;-1.01,1.55,;3,2.32,;4.33,1.54,;4.33,0,;5.67,2.31,;7,1.54,;8.33,2.31,;8.32,3.84,;9.65,4.61,;10.99,3.84,;10.99,2.3,;12.32,1.52,;9.66,1.53,;-6.27,.11,;-5.83,1.57,;-6.87,2.7,;-8.36,2.35,;-9.62,3.23,;-10.85,2.31,;-12.32,2.76,;-10.36,.85,;-8.81,.88,;-7.77,-.24,)|
Show InChI InChI=1S/C27H37ClN4OS/c1-2-15-32(23-11-12-24-25(18-23)34-27(29)31-24)16-14-19-6-9-22(10-7-19)30-26(33)13-8-20-4-3-5-21(28)17-20/h3-5,8,13,17,19,22-23H,2,6-7,9-12,14-16,18H2,1H3,(H2,29,31)(H,30,33)/b13-8+/t19-,22-,23-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
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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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391408
PNG
(CHEMBL2148222)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-c1noc(C)n1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:27.29,6.5,(-4.35,-5.59,;-4.33,-4.05,;-5.66,-3.26,;-5.65,-1.72,;-4.31,-.96,;-2.98,-1.75,;-1.64,-.99,;-.31,-1.78,;1.03,-1.03,;1.05,.52,;-.28,1.3,;-1.63,.55,;2.39,1.27,;3.72,.48,;3.7,-1.06,;5.06,1.24,;6.38,.45,;7.72,1.2,;7.74,2.74,;6.41,3.53,;5.07,2.77,;9.01,3.61,;9.05,5.14,;10.53,5.59,;11.4,4.32,;12.95,4.28,;10.47,3.09,;-6.91,-.84,;-6.45,.62,;-7.48,1.76,;-8.98,1.43,;-10.23,2.33,;-11.47,1.41,;-12.95,1.88,;-10.99,-.05,;-9.44,-.04,;-8.41,-1.17,)|
Show InChI InChI=1S/C28H38N6O2S/c1-3-15-34(23-12-13-24-25(17-23)37-28(29)32-24)16-14-19-4-10-22(11-5-19)31-27(35)21-8-6-20(7-9-21)26-30-18(2)36-33-26/h6-9,19,22-23H,3-5,10-17H2,1-2H3,(H2,29,32)(H,31,35)/t19-,22-,23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391400
PNG
(CHEMBL2146502)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(c1)-c1noc(CC)n1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:28.30,6.5,(-3.55,-4.55,;-3.54,-3.01,;-4.86,-2.23,;-4.85,-.69,;-3.51,.07,;-2.18,-.72,;-.84,.04,;.48,-.75,;1.82,0,;1.84,1.54,;.51,2.33,;-.83,1.58,;3.18,2.3,;4.51,1.51,;4.49,-.03,;5.85,2.26,;5.86,3.8,;7.2,4.55,;8.53,3.77,;8.51,2.23,;7.17,1.47,;9.76,1.34,;11.22,1.82,;12.13,.58,;11.23,-.67,;11.21,-2.21,;9.87,-2.96,;9.77,-.2,;-6.11,.19,;-5.65,1.65,;-6.68,2.79,;-8.18,2.45,;-9.43,3.36,;-10.67,2.44,;-12.13,2.91,;-10.19,.98,;-8.64,.99,;-7.61,-.14,)|
Show InChI InChI=1S/C29H40N6O2S/c1-3-15-35(23-12-13-24-25(18-23)38-29(30)32-24)16-14-19-8-10-22(11-9-19)31-28(36)21-7-5-6-20(17-21)27-33-26(4-2)37-34-27/h5-7,17,19,22-23H,3-4,8-16,18H2,1-2H3,(H2,30,32)(H,31,36)/t19-,22-,23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391393
PNG
(CHEMBL2146504)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:26.28,6.5,(-3.08,-4.55,;-3.07,-3.01,;-4.4,-2.23,;-4.38,-.69,;-3.04,.07,;-1.72,-.71,;-.38,.05,;.95,-.75,;2.28,.01,;2.31,1.55,;.98,2.33,;-.37,1.58,;3.65,2.3,;4.97,1.52,;5.73,.19,;4.2,.19,;6.32,2.27,;6.33,3.8,;7.68,4.55,;9.01,3.76,;10.35,4.5,;11.67,3.72,;11.65,2.17,;10.3,1.42,;8.98,2.21,;7.63,1.47,;-5.65,.19,;-5.18,1.66,;-6.22,2.79,;-7.71,2.46,;-8.97,3.36,;-10.2,2.44,;-11.67,2.91,;-9.72,.98,;-8.17,.99,;-7.14,-.13,)|
Show InChI InChI=1S/C28H38N4O2S2/c1-2-16-32(24-12-14-26-27(19-24)35-28(29)30-26)17-15-20-7-10-23(11-8-20)31-36(33,34)25-13-9-21-5-3-4-6-22(21)18-25/h3-6,9,13,18,20,23-24,31H,2,7-8,10-12,14-17,19H2,1H3,(H2,29,30)/t20-,23-,24-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391402
PNG
(CHEMBL2146505)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:26.28,6.5,(-2.4,-4.56,;-2.38,-3.01,;-3.71,-2.23,;-3.7,-.69,;-2.36,.07,;-1.03,-.71,;.31,.05,;1.64,-.75,;2.98,.01,;3,1.55,;1.67,2.33,;.32,1.58,;4.34,2.3,;5.66,1.52,;6.42,.19,;4.89,.19,;7.01,2.27,;7.03,3.8,;8.37,4.56,;9.7,3.76,;9.68,2.22,;10.99,1.42,;10.96,-.11,;9.61,-.86,;8.29,-.06,;8.32,1.47,;-4.96,.19,;-4.5,1.66,;-5.53,2.79,;-7.03,2.46,;-8.28,3.36,;-9.52,2.44,;-10.99,2.91,;-9.04,.98,;-7.49,.99,;-6.46,-.13,)|
Show InChI InChI=1S/C28H38N4O2S2/c1-2-17-32(23-14-15-25-26(19-23)35-28(29)30-25)18-16-20-10-12-22(13-11-20)31-36(33,34)27-9-5-7-21-6-3-4-8-24(21)27/h3-9,20,22-23,31H,2,10-19H2,1H3,(H2,29,30)/t20-,22-,23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400516
PNG
(CHEMBL2203407)
Show SMILES CCCN(CC[C@@]1(O)CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:10.13,6.6,wD:26.28,6.5,(39.39,-23.82,;39.39,-22.28,;38.06,-21.51,;38.06,-19.97,;39.39,-19.2,;40.73,-19.97,;42.06,-19.2,;42.05,-20.74,;43.39,-19.98,;44.72,-19.22,;44.73,-17.68,;43.4,-16.91,;42.06,-17.67,;46.07,-16.92,;47.4,-17.7,;47.39,-19.24,;48.77,-16.96,;48.76,-15.42,;50.08,-14.66,;51.4,-15.42,;52.73,-14.65,;54.07,-15.42,;54.06,-16.96,;52.73,-17.73,;51.4,-16.95,;50.09,-17.71,;36.73,-19.2,;36.73,-17.66,;35.4,-16.88,;34.07,-17.65,;32.59,-17.17,;31.68,-18.42,;30.14,-18.42,;32.59,-19.67,;34.07,-19.2,;35.4,-19.96,)|
Show InChI InChI=1S/C29H38N4O2S/c1-2-16-33(24-9-10-25-26(19-24)36-28(30)32-25)17-15-29(35)13-11-23(12-14-29)31-27(34)22-8-7-20-5-3-4-6-21(20)18-22/h3-8,18,23-24,35H,2,9-17,19H2,1H3,(H2,30,32)(H,31,34)/t23-,24-,29+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins


ACS Med Chem Lett 2: 620-625 (2011)


Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50391394
PNG
(CHEMBL2148214)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2ncccc12)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:25.27,6.5,(-2.33,-4.62,;-2.33,-3.08,;-3.67,-2.31,;-3.67,-.77,;-2.34,.01,;-1,-.76,;.33,.01,;1.67,-.76,;3,0,;3,1.55,;1.66,2.32,;.32,1.55,;4.34,2.31,;5.67,1.54,;5.67,,;7.01,2.31,;7,3.85,;8.33,4.62,;9.67,3.85,;9.67,2.3,;11,1.54,;11,0,;9.66,-.77,;8.33,-0,;8.33,1.54,;-4.94,.1,;-4.5,1.57,;-5.54,2.7,;-7.03,2.34,;-8.3,3.23,;-9.53,2.3,;-11,2.76,;-9.03,.85,;-7.48,.88,;-6.44,-.24,)|
Show InChI InChI=1S/C28H37N5OS/c1-2-16-33(21-12-13-25-26(18-21)35-28(29)32-25)17-14-19-8-10-20(11-9-19)31-27(34)23-5-3-7-24-22(23)6-4-15-30-24/h3-7,15,19-21H,2,8-14,16-18H2,1H3,(H2,29,32)(H,31,34)/t19-,20-,21-/m0/s1
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UniChem

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PubMed
1.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates


Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair
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