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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50119390'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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42.5n/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 D2L 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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64.7n/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 D2 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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64.7n/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 D2L 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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1.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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2.60E+3n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D2 short receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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2.60E+3n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine D2S receptor using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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2.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D2 long receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


Bioorg Med Chem 21: 2988-98 (2013)


Article DOI: 10.1016/j.bmc.2013.03.074
BindingDB Entry DOI: 10.7270/Q2697509
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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3.60E+3n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine D2L receptor using CHO cell line and [3H]-spiperone as radioligand


Bioorg Med Chem Lett 15: 4819-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.037
BindingDB Entry DOI: 10.7270/Q2Z60NM9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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n/an/a 94.7n/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 D2 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