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Compile Data Set for Download or QSAR

Found 1376 hits with Last Name = 'dutta' and Initial = 'a'   
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))
BDBM50499869
PNG
(CHEMBL3742140)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-21-19(4-1-16-5-7-27-22(16)21)31-13-10-29(11-14-31)9-12-30(8-6-25)17-2-3-18-20(15-17)32-23(26)28-18;3-2(4,5)1(6)7/h1,4-5,7,17,27H,2-3,8-15H2,(H2,26,28);(H,6,7)/t17-;/m0./s1
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0.145n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis


J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50307830
PNG
((S)-6-(propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)e...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1
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0.186n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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


J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303799
PNG
((-)-(S)-6-(Propyl(2-(4-(quinolin-4-yl)piperazin-1-...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)[C@H]1CCc2c(C1)cccc2OC |r|
Show InChI InChI=1S/C29H38N4O/c1-3-15-32(24-11-12-25-23(22-24)7-6-10-29(25)34-2)19-16-31-17-20-33(21-18-31)28-13-14-30-27-9-5-4-8-26(27)28/h4-10,13-14,24H,3,11-12,15-22H2,1-2H3/t24-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303799
PNG
((-)-(S)-6-(Propyl(2-(4-(quinolin-4-yl)piperazin-1-...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)[C@H]1CCc2c(C1)cccc2OC |r|
Show InChI InChI=1S/C29H38N4O/c1-3-15-32(24-11-12-25-23(22-24)7-6-10-29(25)34-2)19-16-31-17-20-33(21-18-31)28-13-14-30-27-9-5-4-8-26(27)28/h4-10,13-14,24H,3,11-12,15-22H2,1-2H3/t24-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303796
PNG
(7-((2-(4-(Naphthalen-1-yl)-piperazin-1-yl)ethyl)(p...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccc2ccccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C29H37N3O/c1-2-14-31(26-12-10-23-11-13-27(33)22-25(23)21-26)18-15-30-16-19-32(20-17-30)29-9-5-7-24-6-3-4-8-28(24)29/h3-9,11,13,22,26,33H,2,10,12,14-21H2,1H3
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0.435n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303795
PNG
(7-((2-(4-(Isoquinolin-1-yl)piperazin-1-yl)ethyl)(p...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O/c1-2-13-31(25-9-7-22-8-10-26(33)21-24(22)20-25)17-14-30-15-18-32(19-16-30)28-27-6-4-3-5-23(27)11-12-29-28/h3-6,8,10-12,21,25,33H,2,7,9,13-20H2,1H3
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0.441n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229783
PNG
(6-[(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccc(Cl)c1Cl)C1CCc2c(O)cccc2C1 |w:20.21|
Show InChI InChI=1S/C25H33Cl2N3O/c1-2-11-29(20-9-10-21-19(18-20)5-3-8-24(21)31)15-12-28-13-16-30(17-14-28)23-7-4-6-22(26)25(23)27/h3-8,20,31H,2,9-18H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229776
PNG
(6-[(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)(pr...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2c(O)cccc2C1 |w:20.21|
Show InChI InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229776
PNG
(6-[(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)(pr...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2c(O)cccc2C1 |w:20.21|
Show InChI InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533790
PNG
(CHEMBL4538230)
Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1
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0.493n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
BindingDB Entry DOI: 10.7270/Q2B85CNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303793
PNG
((S)-(4-(2-((5-hydroxy-1,2,3,4-tetrahydronaphthalen...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3/t23-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533801
PNG
(CHEMBL4535160)
Show SMILES CCCN(CCCCCCc1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C23H35N3O2S/c1-3-13-26(18-10-11-19-22(16-18)29-23(24)25-19)14-7-5-4-6-8-17-9-12-20(27)21(15-17)28-2/h9,12,15,18,27H,3-8,10-11,13-14,16H2,1-2H3,(H2,24,25)
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0.675n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
BindingDB Entry DOI: 10.7270/Q2B85CNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303797
PNG
(7-((2-(4-(Naphthalen-2-yl)piperazin-1-yl)ethyl)(pr...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2ccccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C29H37N3O/c1-2-13-31(28-11-8-24-9-12-29(33)22-26(24)21-28)17-14-30-15-18-32(19-16-30)27-10-7-23-5-3-4-6-25(23)20-27/h3-7,9-10,12,20,22,28,33H,2,8,11,13-19,21H2,1H3
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0.685n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Bioorg Med Chem 22: 311-24 (2013)


Article DOI: 10.1016/j.bmc.2013.11.017
BindingDB Entry DOI: 10.7270/Q2FB54D1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062762
PNG
(CHEMBL3397792)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT


Bioorg Med Chem 23: 821-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109927
PNG
((+)-7-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)am...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C27H39N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h3-5,8-9,11,13,22,26,31H,2,6-7,10,12,14-21H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109927
PNG
((+)-7-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)am...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C27H39N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h3-5,8-9,11,13,22,26,31H,2,6-7,10,12,14-21H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109931
PNG
((+)-7-{[4-(4-phenylpiperazin-1-yl)butyl]prop-2-yny...)
Show SMILES Oc1ccc2CCC(Cc2c1)N(CCCCN1CCN(CC1)c1ccccc1)CC#C
Show InChI InChI=1S/C27H35N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h1,3-5,8-9,11,13,22,26,31H,6-7,10,12,14-21H2
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0.760n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109931
PNG
((+)-7-{[4-(4-phenylpiperazin-1-yl)butyl]prop-2-yny...)
Show SMILES Oc1ccc2CCC(Cc2c1)N(CCCCN1CCN(CC1)c1ccccc1)CC#C
Show InChI InChI=1S/C27H35N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h1,3-5,8-9,11,13,22,26,31H,6-7,10,12,14-21H2
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0.760n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476253
PNG
( (Z)-ethyl 5-(4-((tert-butyldimethylsilyl)oxy)-3-m...)
Show SMILES CCOC(=O)CCC(=C)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C21H34O4Si/c1-9-24-20(22)13-10-16(2)14-17-11-12-18(19(15-17)23-6)25-26(7,8)21(3,4)5/h11-12,15H,2,9-10,13-14H2,1,3-8H3
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US Patent
0.780n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)


BindingDB Entry DOI: 10.7270/Q2FN198W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533791
PNG
(CHEMBL4466245)
Show SMILES CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)/t16-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
BindingDB Entry DOI: 10.7270/Q2B85CNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229775
PNG
((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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0.818n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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


J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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0.818n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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


J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229775
PNG
((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3
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0.820n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229775
PNG
((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3
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0.820n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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


J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
KEGG

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0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
KEGG

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0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50273939
PNG
((R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m1/s1
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0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
KEGG

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0.830n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50499868
PNG
(CHEMBL3740286)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1c(Cl)ccc2[nH]ccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(17-3-5-21-22(16-17)32-24(26)28-21)13-10-29-11-14-31(15-12-29)23-18-7-8-27-20(18)6-4-19(23)25;3-2(4,5)1(6)7/h4,6-8,17,27H,2-3,5,9-16H2,1H3,(H2,26,28);(H,6,7)/t17-;/m0./s1
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0.870n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis


J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400590
PNG
(CHEMBL2206264)
Show SMILES CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C35H54N2O2/c1-3-22-36(30-18-20-32-28(26-30)14-12-16-34(32)38)24-10-8-6-5-7-9-11-25-37(23-4-2)31-19-21-33-29(27-31)15-13-17-35(33)39/h12-17,30-31,38-39H,3-11,18-27H2,1-2H3/t30-,31-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay


ACS Med Chem Lett 3: 991-996 (2012)


Article DOI: 10.1021/ml3002117
BindingDB Entry DOI: 10.7270/Q26M3804
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
KEGG

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0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50261383
PNG
((-)-N6-(2-(4-(Biphenyl-4-yl)piperazin-1-yl)-ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)
KEGG

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0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 3005-19 (2008)


Article DOI: 10.1021/jm701524h
BindingDB Entry DOI: 10.7270/Q2BV7GD5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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0.925n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533802
PNG
(CHEMBL4442119)
Show SMILES CCCN(CCCCCc1cc(O)ccc1O)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)
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1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
BindingDB Entry DOI: 10.7270/Q2B85CNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476252
PNG
(2-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES Nc1nc2CCC(CCCNCCCCCc3cc(O)ccc3O)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-18-9-7-15(13-20(18)27-21)5-4-12-23-11-3-1-2-6-16-14-17(25)8-10-19(16)26/h8,10,14-15,23,25-26H,1-7,9,11-13H2,(H2,22,24)
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US Patent
1.01n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)


BindingDB Entry DOI: 10.7270/Q2FN198W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109929
PNG
(7-({2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccc(Cl)c1Cl)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C25H33Cl2N3O/c1-2-10-29(21-8-6-19-7-9-22(31)18-20(19)17-21)14-11-28-12-15-30(16-13-28)24-5-3-4-23(26)25(24)27/h3-5,7,9,18,21,31H,2,6,8,10-17H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Tested for the binding constant against cloned human Dopamine receptor D3 in HEK cells by displacing [3H]-spiperone


Bioorg Med Chem Lett 12: 619-22 (2002)


BindingDB Entry DOI: 10.7270/Q25X287P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400599
PNG
(CHEMBL2206269)
Show SMILES CCCN(CCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H40N2O2/c1-3-15-29(23-11-13-25-21(19-23)7-5-9-27(25)31)17-18-30(16-4-2)24-12-14-26-22(20-24)8-6-10-28(26)32/h5-10,23-24,31-32H,3-4,11-20H2,1-2H3/t23-,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay


ACS Med Chem Lett 3: 991-996 (2012)


Article DOI: 10.1021/ml3002117
BindingDB Entry DOI: 10.7270/Q26M3804
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400595
PNG
(CHEMBL2206273)
Show SMILES CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C33H50N2O2/c1-3-20-34(28-16-18-30-26(24-28)12-10-14-32(30)36)22-8-6-5-7-9-23-35(21-4-2)29-17-19-31-27(25-29)13-11-15-33(31)37/h10-15,28-29,36-37H,3-9,16-25H2,1-2H3/t28-,29-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay


ACS Med Chem Lett 3: 991-996 (2012)


Article DOI: 10.1021/ml3002117
BindingDB Entry DOI: 10.7270/Q26M3804
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392131
PNG
(CHEMBL2152752)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)/t18-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50499867
PNG
(CHEMBL3740041)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(18-4-5-19-21(16-18)32-24(26)28-19)13-10-29-11-14-31(15-12-29)20-6-3-17-7-8-27-23(17)22(20)25;3-2(4,5)1(6)7/h3,6-8,18,27H,2,4-5,9-16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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1.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis


J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303794
PNG
((-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-5-yl)piperazi...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccc2ncccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(19-8-9-22-24(18-19)32-25(26)28-22)15-12-29-13-16-31(17-14-29)23-7-3-6-21-20(23)5-4-10-27-21/h3-7,10,19H,2,8-9,11-18H2,1H3,(H2,26,28)/t19-/m0/s1
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1.21n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50303798
PNG
(7-(Propyl(2-(4-(quinolin-5-yl)piperazin-1-yl)ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccc2ncccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O/c1-2-13-31(24-10-8-22-9-11-25(33)21-23(22)20-24)17-14-30-15-18-32(19-16-30)28-7-3-6-27-26(28)5-4-12-29-27/h3-7,9,11-12,21,24,33H,2,8,10,13-20H2,1H3
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1.27n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 53: 1023-37 (2010)


Article DOI: 10.1021/jm901184n
BindingDB Entry DOI: 10.7270/Q29023VM
More data for this
Ligand-Target Pair
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