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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'unno' and Initial = 'y'   
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-7


(Homo sapiens (Human))
BDBM50007199
PNG
(CHEMBL3237863)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)22-37(46)42-18-17-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007198
PNG
(CHEMBL3237862)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C39H56BN3O7/c1-26(2)17-35(40-49-34-19-31-18-33(38(31,4)5)39(34,6)50-40)43-37(46)32(42-27(3)44)20-36(45)41-21-30(24-47-22-28-13-9-7-10-14-28)25-48-23-29-15-11-8-12-16-29/h7-16,26,30-35H,17-25H2,1-6H3,(H,41,45)(H,42,44)(H,43,46)/t31-,32-,33-,34+,35-,39-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007196
PNG
(CHEMBL3237864)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)20-37(42-51-36-22-33-21-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)23-38(47)43-19-13-18-32(26-49-24-30-14-9-7-10-15-30)27-50-25-31-16-11-8-12-17-31/h7-12,14-17,28,32-37H,13,18-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(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 4.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007200
PNG
(CHEMBL3237873)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C32H50BN3O6/c1-21(2)16-28(33-41-27-18-24-17-26(31(24,4)5)32(27,6)42-33)36-30(39)25(35-22(3)37)19-29(38)34-14-10-11-15-40-20-23-12-8-7-9-13-23/h7-9,12-13,21,24-28H,10-11,14-20H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27+,28-,32-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007193
PNG
(CHEMBL3237865)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)17-18-37(46)42-22-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007207
PNG
(CHEMBL3237860)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@H]1C[C@@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24-,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007207
PNG
(CHEMBL3237860)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@H]1C[C@@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24-,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430986
PNG
(CHEMBL2338312)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24+,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007195
PNG
(CHEMBL3237866)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)21-37(42-51-36-23-33-22-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)17-18-38(47)43-20-19-32(26-49-24-30-13-9-7-10-14-30)27-50-25-31-15-11-8-12-16-31/h7-16,28,32-37H,17-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007202
PNG
(CHEMBL3237868)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C45H58BCl2N3O7/c1-29(2)20-40(46-57-39-22-33-21-38(44(33,3)4)45(39,5)58-46)51-43(54)37(50-42(53)35-23-34(47)16-17-36(35)48)24-41(52)49-19-18-32(27-55-25-30-12-8-6-9-13-30)28-56-26-31-14-10-7-11-15-31/h6-17,23,29,32-33,37-40H,18-22,24-28H2,1-5H3,(H,49,52)(H,50,53)(H,51,54)/t33-,37-,38-,39+,40-,45-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(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 7n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007201
PNG
(CHEMBL3237870)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C43H58BN5O7/c1-29(2)20-38(44-55-37-22-33-21-36(42(33,3)4)43(37,5)56-44)49-40(51)34(48-41(52)35-24-45-18-19-46-35)23-39(50)47-17-16-32(27-53-25-30-12-8-6-9-13-30)28-54-26-31-14-10-7-11-15-31/h6-15,18-19,24,29,32-34,36-38H,16-17,20-23,25-28H2,1-5H3,(H,47,50)(H,48,52)(H,49,51)/t33-,34-,36-,37+,38-,43-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007205
PNG
(CHEMBL3237871)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C50H63BN4O7/c1-34(2)26-45(51-61-44-28-39-27-43(49(39,3)4)50(44,5)62-51)55-48(58)42(54-47(57)41-23-15-22-40(53-41)38-20-13-8-14-21-38)29-46(56)52-25-24-37(32-59-30-35-16-9-6-10-17-35)33-60-31-36-18-11-7-12-19-36/h6-23,34,37,39,42-45H,24-33H2,1-5H3,(H,52,56)(H,54,57)(H,55,58)/t39-,42-,43-,44+,45-,50-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007209
PNG
(CHEMBL3237874)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B(O)O |r|
Show InChI InChI=1S/C29H42BN3O7/c1-21(2)14-27(30(37)38)33-29(36)26(32-22(3)34)15-28(35)31-16-25(19-39-17-23-10-6-4-7-11-23)20-40-18-24-12-8-5-9-13-24/h4-13,21,25-27,37-38H,14-20H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t26-,27-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007197
PNG
(CHEMBL3237869)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C45H60BN3O7/c1-31(2)23-40(46-55-39-25-36-24-38(44(36,3)4)45(39,5)56-46)49-43(52)37(48-42(51)35-19-13-8-14-20-35)26-41(50)47-22-21-34(29-53-27-32-15-9-6-10-16-32)30-54-28-33-17-11-7-12-18-33/h6-20,31,34,36-40H,21-30H2,1-5H3,(H,47,50)(H,48,51)(H,49,52)/t36-,37-,38-,39+,40-,45-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430985
PNG
(CHEMBL2338319)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C35H41N3O5/c1-4-21(2)30-31(43-35(30)42)34(41)38-29-20-27(29)19-28(17-14-23-10-6-5-7-11-23)37-32(39)22(3)36-33(40)26-16-15-24-12-8-9-13-25(24)18-26/h5-13,15-16,18,21-22,27-31H,4,14,17,19-20H2,1-3H3,(H,36,40)(H,37,39)(H,38,41)/t21-,22-,27+,28+,29-,30-,31+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431011
PNG
(CHEMBL2331625)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H39N3O6/c1-4-19(2)26-27(40-30(26)37)29(36)34-25-17-23(25)16-24(15-21-11-7-5-8-12-21)33-28(35)20(3)32-31(38)39-18-22-13-9-6-10-14-22/h5-14,19-20,23-27H,4,15-18H2,1-3H3,(H,32,38)(H,33,35)(H,34,36)/t19-,20-,23+,24+,25-,26-,27+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430991
PNG
(CHEMBL2338308)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1)C=C |r|
Show InChI InChI=1S/C29H35N3O5/c1-5-16(3)24-25(37-29(24)36)28(35)32-23-15-21(23)14-22(6-2)31-26(33)17(4)30-27(34)20-12-11-18-9-7-8-10-19(18)13-20/h6-13,16-17,21-25H,2,5,14-15H2,1,3-4H3,(H,30,34)(H,31,33)(H,32,35)/t16-,17-,21+,22+,23-,24-,25+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431010
PNG
(CHEMBL2337887)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C34H40N4O6/c1-4-20(3)29-30(44-33(29)41)32(40)37-27-16-22(27)15-24(5-2)36-31(39)28(17-23-18-35-26-14-10-9-13-25(23)26)38-34(42)43-19-21-11-7-6-8-12-21/h5-14,18,20,22,24,27-30,35H,2,4,15-17,19H2,1,3H3,(H,36,39)(H,37,40)(H,38,42)/t20-,22+,24+,27-,28-,29-,30+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431009
PNG
(CHEMBL2338317)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccc2ccccc2c1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C36H43N3O6/c1-4-22(2)31-32(45-35(31)42)34(41)39-30-20-28(30)19-29(17-15-24-14-16-26-12-8-9-13-27(26)18-24)38-33(40)23(3)37-36(43)44-21-25-10-6-5-7-11-25/h5-14,16,18,22-23,28-32H,4,15,17,19-21H2,1-3H3,(H,37,43)(H,38,40)(H,39,41)/t22-,23-,28+,29+,30-,31-,32+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1 |r|
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1 |r|
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430988
PNG
(CHEMBL2337886)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C32H39N3O6/c1-4-20(3)27-28(41-31(27)38)30(37)34-25-18-23(25)17-24(5-2)33-29(36)26(16-21-12-8-6-9-13-21)35-32(39)40-19-22-14-10-7-11-15-22/h5-15,20,23-28H,2,4,16-19H2,1,3H3,(H,33,36)(H,34,37)(H,35,39)/t20-,23+,24+,25-,26-,27-,28+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50007199
PNG
(CHEMBL3237863)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)22-37(46)42-18-17-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431008
PNG
(CHEMBL2338318)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-3-20(2)28-29(38-32(28)37)31(36)34-27-19-25(27)18-26(16-13-21-9-5-4-6-10-21)33-30(35)24-15-14-22-11-7-8-12-23(22)17-24/h4-12,14-15,17,20,25-29H,3,13,16,18-19H2,1-2H3,(H,33,35)(H,34,36)/t20-,25+,26+,27-,28-,29+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431007
PNG
(CHEMBL2338313)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-4-21(2)28-29(42-32(28)39)31(38)36-27-19-25(27)18-26(17-11-16-23-12-7-5-8-13-23)35-30(37)22(3)34-33(40)41-20-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-29H,4,11,16-20H2,1-3H3,(H,34,40)(H,35,37)(H,36,38)/t21-,22-,25+,26+,27-,28-,29+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431006
PNG
(CHEMBL2338310)
Show SMILES CC[C@H](C[C@@H]1C[C@@H]1NC(=O)[C@@H]1OC(=O)[C@H]1[C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H37N3O6/c1-5-15(3)21-22(35-25(21)32)24(31)29-20-13-18(20)12-19(6-2)28-23(30)16(4)27-26(33)34-14-17-10-8-7-9-11-17/h7-11,15-16,18-22H,5-6,12-14H2,1-4H3,(H,27,33)(H,28,30)(H,29,31)/t15-,16-,18+,19+,20-,21-,22+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431005
PNG
(CHEMBL2337884)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C25H33N3O6/c1-4-15(3)21-22(34-24(21)31)23(30)28-19-12-17(19)11-18(5-2)27-20(29)13-26-25(32)33-14-16-9-7-6-8-10-16/h5-10,15,17-19,21-22H,2,4,11-14H2,1,3H3,(H,26,32)(H,27,29)(H,28,30)/t15-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431004
PNG
(CHEMBL2337885)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C29H41N3O6/c1-6-18(5)24-25(38-28(24)35)27(34)31-22-15-20(22)14-21(7-2)30-26(33)23(13-17(3)4)32-29(36)37-16-19-11-9-8-10-12-19/h7-12,17-18,20-25H,2,6,13-16H2,1,3-5H3,(H,30,33)(H,31,34)(H,32,36)/t18-,20+,21+,22-,23-,24-,25+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430987
PNG
(CHEMBL2337877)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C26H35N3O6/c1-5-15(3)21-22(35-25(21)32)24(31)29-20-13-18(20)12-19(6-2)28-23(30)16(4)27-26(33)34-14-17-10-8-7-9-11-17/h6-11,15-16,18-22H,2,5,12-14H2,1,3-4H3,(H,27,33)(H,28,30)(H,29,31)/t15-,16-,18+,19+,20-,21-,22+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007204
PNG
(CHEMBL3237872)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NC)NC(C)=O |r|
Show InChI InChI=1S/C22H38BN3O5/c1-12(2)8-18(26-20(29)15(25-13(3)27)11-19(28)24-7)23-30-17-10-14-9-16(21(14,4)5)22(17,6)31-23/h12,14-18H,8-11H2,1-7H3,(H,24,28)(H,25,27)(H,26,29)/t14-,15-,16-,17+,18-,22-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431003
PNG
(CHEMBL2337883)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C=C |r|
Show InChI InChI=1S/C26H35N3O6/c1-5-15(3)21-22(35-25(21)32)24(31)29-20-13-18(20)12-19(6-2)28-23(30)16(4)27-26(33)34-14-17-10-8-7-9-11-17/h6-11,15-16,18-22H,2,5,12-14H2,1,3-4H3,(H,27,33)(H,28,30)(H,29,31)/t15-,16+,18+,19+,20-,21-,22+/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50007200
PNG
(CHEMBL3237873)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C32H50BN3O6/c1-21(2)16-28(33-41-27-18-24-17-26(31(24,4)5)32(27,6)42-33)36-30(39)25(35-22(3)37)19-29(38)34-14-10-11-15-40-20-23-12-8-7-9-13-23/h7-9,12-13,21,24-28H,10-11,14-20H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27+,28-,32-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430989
PNG
(CHEMBL2337881)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)c1ccc2ccccc2c1)C=C |r|
Show InChI InChI=1S/C26H30N2O4/c1-4-15(3)22-23(32-26(22)31)25(30)28-21-14-19(21)13-20(5-2)27-24(29)18-11-10-16-8-6-7-9-17(16)12-18/h5-12,15,19-23H,2,4,13-14H2,1,3H3,(H,27,29)(H,28,30)/t15-,19+,20+,21-,22-,23+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431002
PNG
(CHEMBL2338316)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1cccc2ccccc12)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C36H43N3O6/c1-4-22(2)31-32(45-35(31)42)34(41)39-30-20-27(30)19-28(18-17-26-15-10-14-25-13-8-9-16-29(25)26)38-33(40)23(3)37-36(43)44-21-24-11-6-5-7-12-24/h5-16,22-23,27-28,30-32H,4,17-21H2,1-3H3,(H,37,43)(H,38,40)(H,39,41)/t22-,23-,27+,28+,30-,31-,32+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50007193
PNG
(CHEMBL3237865)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)17-18-37(46)42-22-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007195
PNG
(CHEMBL3237866)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)21-37(42-51-36-23-33-22-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)17-18-38(47)43-20-19-32(26-49-24-30-13-9-7-10-14-30)27-50-25-31-15-11-8-12-16-31/h7-16,28,32-37H,17-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431001
PNG
(CHEMBL2338309)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C=C |r|
Show InChI InChI=1S/C23H37N3O6/c1-8-12(3)17-18(31-21(17)29)20(28)26-16-11-14(16)10-15(9-2)25-19(27)13(4)24-22(30)32-23(5,6)7/h9,12-18H,2,8,10-11H2,1,3-7H3,(H,24,30)(H,25,27)(H,26,28)/t12-,13-,14+,15+,16-,17-,18+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(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 78n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50431000
PNG
(CHEMBL2338307)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C=C |r|
Show InChI InChI=1S/C25H33N3O5/c1-5-14(3)20-21(33-25(20)32)24(31)28-19-13-17(19)12-18(6-2)27-22(29)15(4)26-23(30)16-10-8-7-9-11-16/h6-11,14-15,17-21H,2,5,12-13H2,1,3-4H3,(H,26,30)(H,27,29)(H,28,31)/t14-,15-,17+,18+,19-,20-,21+/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430999
PNG
(CHEMBL2338311)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H37N3O6/c1-4-18(2)25-26(39-29(25)36)28(35)33-24-16-22(24)15-23(21-13-9-6-10-14-21)32-27(34)19(3)31-30(37)38-17-20-11-7-5-8-12-20/h5-14,18-19,22-26H,4,15-17H2,1-3H3,(H,31,37)(H,32,34)(H,33,35)/t18-,19-,22+,23-,24-,25-,26+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50325571
PNG
(3,4-Dichlorobenzenemethanethiol | CHEMBL1224626)
Show SMILES SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
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n/an/a 100n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase


Bioorg Med Chem Lett 20: 5126-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.025
BindingDB Entry DOI: 10.7270/Q2862HFZ
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007196
PNG
(CHEMBL3237864)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)20-37(42-51-36-22-33-21-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)23-38(47)43-19-13-18-32(26-49-24-30-14-9-7-10-15-30)27-50-25-31-16-11-8-12-17-31/h7-12,14-17,28,32-37H,13,18-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(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 120n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430997
PNG
(CHEMBL2338314)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H41N3O6/c1-4-21(2)30-31(44-34(30)41)33(40)38-29-19-26(29)18-27(17-25-15-10-14-24-13-8-9-16-28(24)25)37-32(39)22(3)36-35(42)43-20-23-11-6-5-7-12-23/h5-16,21-22,26-27,29-31H,4,17-20H2,1-3H3,(H,36,42)(H,37,39)(H,38,40)/t21-,22-,26+,27+,29-,30-,31+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(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 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Ac-nLPnLD-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50430998
PNG
(CHEMBL2337880)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)c1ccccc1)C=C |r|
Show InChI InChI=1S/C22H28N2O4/c1-4-13(3)18-19(28-22(18)27)21(26)24-17-12-15(17)11-16(5-2)23-20(25)14-9-7-6-8-10-14/h5-10,13,15-19H,2,4,11-12H2,1,3H3,(H,23,25)(H,24,26)/t13-,15+,16+,17-,18-,19+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
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