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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'beuming' and Initial = 't'   
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))
BDBM50131922
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)
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0.320n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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1.40n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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1.90n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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3.40n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394924
PNG
(CHEMBL2165678)
Show SMILES CCC(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H25Cl2N3O/c1-2-16(23)20-8-3-4-9-21-10-12-22(13-11-21)15-7-5-6-14(18)17(15)19/h5-7H,2-4,8-13H2,1H3,(H,20,23)
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4.80n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394926
PNG
(CHEMBL2165676)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H18Cl2N2/c1-2-6-16-7-9-17(10-8-16)12-5-3-4-11(14)13(12)15/h3-5H,2,6-10H2,1H3
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5.20n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394926
PNG
(CHEMBL2165676)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H18Cl2N2/c1-2-6-16-7-9-17(10-8-16)12-5-3-4-11(14)13(12)15/h3-5H,2,6-10H2,1H3
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6.30n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394924
PNG
(CHEMBL2165678)
Show SMILES CCC(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H25Cl2N3O/c1-2-16(23)20-8-3-4-9-21-10-12-22(13-11-21)15-7-5-6-14(18)17(15)19/h5-7H,2-4,8-13H2,1H3,(H,20,23)
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15.6n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039791
PNG
(1-Butyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL26...)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
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20.6n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039791
PNG
(1-Butyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL26...)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
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23.9n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394927
PNG
(CHEMBL2165675)
Show SMILES OCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H16Cl2N2O/c13-10-2-1-3-11(12(10)14)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
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36.3n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131922
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)
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37.4n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394923
PNG
(CHEMBL2165679)
Show SMILES CCC(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C18H29N3O2/c1-3-18(22)19-10-6-7-11-20-12-14-21(15-13-20)16-8-4-5-9-17(16)23-2/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H,19,22)
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38.6n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394929
PNG
(CHEMBL2165673)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H14Cl2N2/c1-14-5-7-15(8-6-14)10-4-2-3-9(12)11(10)13/h2-4H,5-8H2,1H3
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45.9n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394929
PNG
(CHEMBL2165673)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H14Cl2N2/c1-14-5-7-15(8-6-14)10-4-2-3-9(12)11(10)13/h2-4H,5-8H2,1H3
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54.6n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394927
PNG
(CHEMBL2165675)
Show SMILES OCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H16Cl2N2O/c13-10-2-1-3-11(12(10)14)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
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63.7n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394923
PNG
(CHEMBL2165679)
Show SMILES CCC(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C18H29N3O2/c1-3-18(22)19-10-6-7-11-20-12-14-21(15-13-20)16-8-4-5-9-17(16)23-2/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H,19,22)
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84n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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103n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394930
PNG
(CHEMBL1424807)
Show SMILES Clc1cccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
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137n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394930
PNG
(CHEMBL1424807)
Show SMILES Clc1cccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
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197n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394928
PNG
(CHEMBL2165674)
Show SMILES COc1ccccc1N1CCN(C)CC1
Show InChI InChI=1S/C12H18N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h3-6H,7-10H2,1-2H3
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265n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394928
PNG
(CHEMBL2165674)
Show SMILES COc1ccccc1N1CCN(C)CC1
Show InChI InChI=1S/C12H18N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h3-6H,7-10H2,1-2H3
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590n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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680n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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2.26E+3n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394922
PNG
(CHEMBL2164434)
Show SMILES CCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N2O/c1-2-3-8-14-13(16)12-9-10-6-4-5-7-11(10)15-12/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)
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PubMed
1.36E+4n/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 D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394922
PNG
(CHEMBL2164434)
Show SMILES CCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N2O/c1-2-3-8-14-13(16)12-9-10-6-4-5-7-11(10)15-12/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)
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2.15E+4n/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 D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600764
PNG
(CHEMBL5182017)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600773
PNG
(CHEMBL5174759 | US20240043470, Compound 3-08)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600775
PNG
(CHEMBL5207942 | US20240043470, Compound 3-28)
Show SMILES Fc1ccc(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)cc1 |r|
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600767
PNG
(CHEMBL5191353 | US20240043470, Compound 3-07)
Show SMILES O=C(NCC1CC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600776
PNG
(CHEMBL5198676 | US20240043470, Compound 3-42)
Show SMILES FC1(F)CCN(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)CC1 |r|
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600762
PNG
(CHEMBL5180427 | US20240043470, Compound 1-53)
Show SMILES CC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC(F)(F)F)c3)c2 |r|
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600765
PNG
(CHEMBL5175549 | US20240043470, Compound 3-09)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1COCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 6.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600766
PNG
(CHEMBL5193963 | US20240043470, Compound 3-10)
Show SMILES FC(F)CNC(=O)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 8.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600768
PNG
(CHEMBL5195365 | US20240043470, Compound 3-11)
Show SMILES Cn1cc(CNC(=O)[C@@H]2CCCCOc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N2)c3)cn1 |r|
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n/an/a 9.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600774
PNG
(CHEMBL5200145 | US20240043470, Compound 3-35)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](COc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600782
PNG
(CHEMBL5198080)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCC3)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600782
PNG
(CHEMBL5198080)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCC3)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600763
PNG
(CHEMBL5194112 | US20240043470, Compound 1-56)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 2.63E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600779
PNG
(CHEMBL5198924)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(CC3(COC3)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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n/an/a 3.11E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600778
PNG
(CHEMBL5198102 | US20240043470, Compound 3-40)
Show SMILES CC1(C)Cc2cccc(OCCCC[C@H](NC(=O)[C@H](CCN3CCOCC3)NC1=O)C(=O)NC1CCCC1)c2 |r|
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n/an/a 4.52E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600776
PNG
(CHEMBL5198676 | US20240043470, Compound 3-42)
Show SMILES FC1(F)CCN(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)CC1 |r|
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n/an/a 4.65E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600775
PNG
(CHEMBL5207942 | US20240043470, Compound 3-28)
Show SMILES Fc1ccc(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)cc1 |r|
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n/an/a 5.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600772
PNG
(CHEMBL5179439 | US20240043470, Compound 3-15)
Show SMILES FC(F)(F)C1(CC1)NC(=O)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600777
PNG
(CHEMBL5173314 | US20240043470, Compound 3-20)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600780
PNG
(CHEMBL5174268)
Show SMILES CN[C@H]1Cc2cccc(OCCCC[C@H](NC(=O)[C@H](CCN3CCOCC3)NC1=O)C(=O)NC1CCCC1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600781
PNG
(CHEMBL5187232 | US20240043470, Compound 3-34)
Show SMILES CN(C)[C@H]1Cc2cccc(OCCCC[C@H](NC(=O)[C@H](CCN3CCOCC3)NC1=O)C(=O)NC1CCCC1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587102
PNG
(CHEMBL5081872 | US20240043470, Compound 1-69)
Show SMILES Cc1ccc(CNC(=O)[C@@H]2Cc3cccc(Oc4cccc(C[C@H](N)C(=O)N[C@@H](CCc5ccccc5)C(=O)N2)c4)c3)cc1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600761
PNG
(CHEMBL5197086 | US20240043470, Compound 1-51)
Show SMILES CC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1ccc(C)cc1)c3)c2 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600762
PNG
(CHEMBL5180427 | US20240043470, Compound 1-53)
Show SMILES CC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC(F)(F)F)c3)c2 |r|
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
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