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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit alpha type-6'   
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
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588478
PNG
((R)-N-(2,5-dichlorobenzoyl)-3- methylmercaptopropi...)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 4.86n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50516758
PNG
(CHEMBL4444471 | US11542283, Compound V-9A)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1 |r|
Show InChI InChI=1S/C20H30BCl2N3O4S/c1-13(2)10-18(21-29-8-6-24-7-9-30-21)26-20(28)17(12-31-3)25-19(27)15-11-14(22)4-5-16(15)23/h4-5,11,13,17-18,24H,6-10,12H2,1-3H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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KEGG

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n/an/a 5.69n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588482
PNG
((R)-N-(2,5-dichlorobenzoyl)-3- methylmercaptopropi...)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
PDB
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KEGG

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US Patent
n/an/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462603
PNG
(CHEMBL4248209 | US11542283, Compound V-8A)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1 |r|
Show InChI InChI=1S/C20H30BCl2N3O5/c1-13(2)10-18(21-30-8-6-24-7-9-31-21)26-20(28)17(12-29-3)25-19(27)15-11-14(22)4-5-16(15)23/h4-5,11,13,17-18,24H,6-10,12H2,1-3H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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KEGG

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UniChem
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n/an/a 7.02n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462621
PNG
(CHEMBL1813256 | MLN-9708 | US11542283, Compound ML...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
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PC sid
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n/an/a 7.47n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462625
PNG
(CHEMBL4243375 | US11542283, Compound IV-8)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O |r|
Show InChI InChI=1S/C16H23BCl2N2O5/c1-9(2)6-14(17(24)25)21-16(23)13(8-26-3)20-15(22)11-7-10(18)4-5-12(11)19/h4-5,7,9,13-14,24-25H,6,8H2,1-3H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
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n/an/a 7.52n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588480
PNG
((S)-N-(2,5-dichlorobenzoyl)-3- methoxypropionamido...)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
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KEGG

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n/an/a 8.20n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 9.92n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65510
PNG
(CPZ analog, 4)
Show SMILES OS(=O)(=O)CCCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClNO3S2/c18-13-8-9-17-15(12-13)19(10-4-1-5-11-24(20,21)22)14-6-2-3-7-16(14)23-17/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21,22)
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65511
PNG
(CPZ analog, 5)
Show SMILES Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 8.90E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65512
PNG
(CPZ analog, 6)
Show SMILES OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H10ClNO2S/c17-11-7-8-15-13(10-11)18(9-3-6-16(19)20)12-4-1-2-5-14(12)21-15/h1-2,4-5,7-8,10H,9H2,(H,19,20)
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Article
PubMed
n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65513
PNG
(CPZ analog, 7)
Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)
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n/an/an/an/a 6.40E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65514
PNG
(CPZ analog, 8)
Show SMILES COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClNO2S/c1-25-21(24)15-8-6-14(7-9-15)13-23-17-4-2-3-5-19(17)26-20-11-10-16(22)12-18(20)23/h2-12H,13H2,1H3
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n/an/an/an/a 1.56E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65509
PNG
(CPZ analog, 3)
Show SMILES OS(=O)(=O)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C15H14ClNO3S2/c16-11-6-7-15-13(10-11)17(8-3-9-22(18,19)20)12-4-1-2-5-14(12)21-15/h1-2,4-7,10H,3,8-9H2,(H,18,19,20)
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65508
PNG
(CPZ analog, 2)
Show SMILES OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)
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n/an/an/an/a 6.30E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM65507
PNG
(CPZ analog, 1)
Show SMILES CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClNS/c1-13(2)6-5-11-20-15-7-3-4-8-17(15)21-18-10-9-14(19)12-16(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 9.90E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/an/an/a 1.24E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM79211
PNG
(1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;h...)
Show SMILES CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1
Show InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
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n/an/an/an/a 1.19E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/an/an/a 1.20E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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Article
PubMed
n/an/an/an/a 1.48E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.80E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair