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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50071959'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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0.233n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 58: 5361-80 (2015)


Article DOI: 10.1021/jm501512b
BindingDB Entry DOI: 10.7270/Q2TX3H5Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [125I]IABN binding to rat Dopamine D3 receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]-thymidine uptake


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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2.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]YM-09151-2 binding to human Dopamine D3 receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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n/an/a 5n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity against 100 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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n/an/a 14.4n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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n/an/a 14.4n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in HEK293 cells by mitogenesis assay


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair