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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-4'   
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 beta type-4


(Saccharomyces cerevisiae)
BDBM50185644
PNG
((S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-2-((S)-2-((2S...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H77N7O11/c1-6-7-8-9-10-11-12-13-17-23-40(60)54-42(32(4)57)48(65)55-41(31(2)3)46(63)56-43(33(5)58)47(64)52-38(29-35-24-26-36(59)27-25-35)45(62)51-37(22-18-19-28-50)44(61)53-39(49(66)67)30-34-20-15-14-16-21-34/h14-16,20-21,24-27,31-33,37-39,41-43,57-59H,6-13,17-19,22-23,28-30,50H2,1-5H3,(H,51,62)(H,52,64)(H,53,61)(H,54,60)(H,55,65)(H,56,63)(H,66,67)/t32-,33-,37+,38+,39+,41+,42+,43+/m1/s1
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6.80E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185624
PNG
((S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C50H76N6O13/c1-6-8-9-10-11-12-13-14-15-16-20-23-40(60)54-43(32(4)57)49(67)55-42(31(3)7-2)47(65)56-44(33(5)58)48(66)52-37(28-34-21-18-17-19-22-34)45(63)51-38(30-41(61)62)46(64)53-39(50(68)69)29-35-24-26-36(59)27-25-35/h17-19,21-22,24-27,31-33,37-39,42-44,57-59H,6-16,20,23,28-30H2,1-5H3,(H,51,63)(H,52,66)(H,53,64)(H,54,60)(H,55,67)(H,56,65)(H,61,62)(H,68,69)/t31-,32+,33+,37-,38-,39-,42-,43-,44-/m0/s1
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7.80E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185630
PNG
(CHEMBL210871 | Pam-YDL)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H57N3O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(40)36-28(23-26-18-20-27(39)21-19-26)33(43)37-29(24-32(41)42)34(44)38-30(35(45)46)22-25(2)3/h18-21,25,28-30,39H,4-17,22-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,44)(H,41,42)(H,45,46)/t28-,29-,30-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185625
PNG
(CHEMBL380390 | pAM-FKF)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H62N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-28-37(45)42-35(30-32-23-16-14-17-24-32)39(47)43-34(27-21-22-29-41)38(46)44-36(40(48)49)31-33-25-18-15-19-26-33/h14-19,23-26,34-36H,2-13,20-22,27-31,41H2,1H3,(H,42,45)(H,43,47)(H,44,46)(H,48,49)/t34-,35-,36-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185628
PNG
((S)-2-{(S)-4-carboxy-2-[(S)-2-dodecanoylamino-3-(4...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H51N3O8/c1-4-5-6-7-8-9-10-11-12-13-28(37)33-26(21-23-14-16-24(36)17-15-23)31(41)34-25(18-19-29(38)39)30(40)35-27(32(42)43)20-22(2)3/h14-17,22,25-27,36H,4-13,18-21H2,1-3H3,(H,33,37)(H,34,41)(H,35,40)(H,38,39)(H,42,43)/t25-,26-,27-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185618
PNG
((S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C48H72N6O13/c1-6-8-9-10-11-12-13-14-18-21-38(58)52-41(30(4)55)47(65)53-40(29(3)7-2)45(63)54-42(31(5)56)46(64)50-35(26-32-19-16-15-17-20-32)43(61)49-36(28-39(59)60)44(62)51-37(48(66)67)27-33-22-24-34(57)25-23-33/h15-17,19-20,22-25,29-31,35-37,40-42,55-57H,6-14,18,21,26-28H2,1-5H3,(H,49,61)(H,50,64)(H,51,62)(H,52,58)(H,53,65)(H,54,63)(H,59,60)(H,66,67)/t29-,30+,31+,35-,36-,37-,40-,41-,42-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185645
PNG
((S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-3-hydroxy-2-(...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C51H81N7O11/c1-6-7-8-9-10-11-12-13-14-15-19-25-42(62)56-44(34(4)59)50(67)57-43(33(2)3)48(65)58-45(35(5)60)49(66)54-40(31-37-26-28-38(61)29-27-37)47(64)53-39(24-20-21-30-52)46(63)55-41(51(68)69)32-36-22-17-16-18-23-36/h16-18,22-23,26-29,33-35,39-41,43-45,59-61H,6-15,19-21,24-25,30-32,52H2,1-5H3,(H,53,64)(H,54,66)(H,55,63)(H,56,62)(H,57,67)(H,58,65)(H,68,69)/t34-,35-,39+,40+,41+,43+,44+,45+/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185646
PNG
(CHEMBL207452 | Pam-YKF)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H62N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-37(46)42-35(29-32-24-26-33(45)27-25-32)39(48)43-34(22-18-19-28-41)38(47)44-36(40(49)50)30-31-20-15-14-16-21-31/h14-16,20-21,24-27,34-36,45H,2-13,17-19,22-23,28-30,41H2,1H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)/t34-,35-,36-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185643
PNG
((S)-2-{(S)-4-carboxy-2-[(S)-2-hexadecanoylamino-3-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C36H59N3O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(41)37-30(25-27-18-20-28(40)21-19-27)35(45)38-29(22-23-33(42)43)34(44)39-31(36(46)47)24-26(2)3/h18-21,26,29-31,40H,4-17,22-25H2,1-3H3,(H,37,41)(H,38,45)(H,39,44)(H,42,43)(H,46,47)/t29-,30-,31-/m0/s1
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>8.00E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Saccharomyces cerevisiae)
BDBM50185633
PNG
((S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-2-((S)-2-((2S...)
Show SMILES CCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H65N7O11/c1-6-7-9-17-34(54)48-36(26(4)51)42(59)49-35(25(2)3)40(57)50-37(27(5)52)41(58)46-32(23-29-18-20-30(53)21-19-29)39(56)45-31(16-12-13-22-44)38(55)47-33(43(60)61)24-28-14-10-8-11-15-28/h8,10-11,14-15,18-21,25-27,31-33,35-37,51-53H,6-7,9,12-13,16-17,22-24,44H2,1-5H3,(H,45,56)(H,46,58)(H,47,55)(H,48,54)(H,49,59)(H,50,57)(H,60,61)/t26-,27-,31+,32+,33+,35+,36+,37+/m1/s1
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3.15E+5n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50577134
PNG
(CHEMBL4877708)
Show SMILES CO[C@@H]1CCCN(C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113556
BindingDB Entry DOI: 10.7270/Q2BR8WZN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50577131
PNG
(CHEMBL4855915)
Show SMILES COC1CCN(CC1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113556
BindingDB Entry DOI: 10.7270/Q2BR8WZN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113556
BindingDB Entry DOI: 10.7270/Q2BR8WZN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50577116
PNG
(CHEMBL4872258)
Show SMILES C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1nccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113556
BindingDB Entry DOI: 10.7270/Q2BR8WZN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50577133
PNG
(CHEMBL4870115)
Show SMILES CO[C@H]1CCN(C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113556
BindingDB Entry DOI: 10.7270/Q2BR8WZN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50604328
PNG
(CHEMBL5180795)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 |r|
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n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50604305
PNG
(CHEMBL5209480)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-4


(Homo sapiens (Human))
BDBM50604324
PNG
(CHEMBL5183361)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)C(=C\c2ccco2)\C#N)cc1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair