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Compile Data Set for Download or QSAR

Found 440 hits of ic50 data for polymerid = 50003459   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
20S proteasome


(Homo sapiens (Human))
BDBM50517643
PNG
(CHEMBL4451682)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C30H41N7O5S/c1-20(2)16-26(35-30(40)27(36-37-32)18-22-8-6-5-7-9-22)29(39)33-21(3)28(38)34-25(14-15-43(4,41)42)17-23-10-12-24(19-31)13-11-23/h5-15,20-21,25-27H,16-19,31H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/b15-14+/t21-,25+,26-,27-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517609
PNG
(CHEMBL4440581)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C30H41N7O6S/c1-20(2)15-25(34-29(40)26(36-37-32)17-21-7-5-4-6-8-21)28(39)35-27(19-38)30(41)33-24(13-14-44(3,42)43)16-22-9-11-23(18-31)12-10-22/h4-14,20,24-27,38H,15-19,31H2,1-3H3,(H,33,41)(H,34,40)(H,35,39)/b14-13+/t24-,25+,26+,27+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517607
PNG
(CHEMBL4590398)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C31H43N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-15,20-21,25-28,39H,16-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/b15-14+/t21-,25-,26+,27+,28+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517617
PNG
(CHEMBL4458756)
Show SMILES COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C31H43N7O6S/c1-21(2)16-26(35-30(40)27(37-38-33)18-22-8-6-5-7-9-22)29(39)36-28(20-44-3)31(41)34-25(14-15-45(4,42)43)17-23-10-12-24(19-32)13-11-23/h5-15,21,25-28H,16-20,32H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)/b15-14+/t25-,26+,27+,28+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517607
PNG
(CHEMBL4590398)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C31H43N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-15,20-21,25-28,39H,16-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/b15-14+/t21-,25-,26+,27+,28+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517643
PNG
(CHEMBL4451682)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C30H41N7O5S/c1-20(2)16-26(35-30(40)27(36-37-32)18-22-8-6-5-7-9-22)29(39)33-21(3)28(38)34-25(14-15-43(4,41)42)17-23-10-12-24(19-31)13-11-23/h5-15,20-21,25-27H,16-19,31H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/b15-14+/t21-,25+,26-,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
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n/an/a>11n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517609
PNG
(CHEMBL4440581)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C30H41N7O6S/c1-20(2)15-25(34-29(40)26(36-37-32)17-21-7-5-4-6-8-21)28(39)35-27(19-38)30(41)33-24(13-14-44(3,42)43)16-22-9-11-23(18-31)12-10-22/h4-14,20,24-27,38H,15-19,31H2,1-3H3,(H,33,41)(H,34,40)(H,35,39)/b14-13+/t24-,25+,26+,27+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50426994
PNG
(CHEMBL2326533)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 61: 5395-5411 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00685
BindingDB Entry DOI: 10.7270/Q29K4DRM
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517647
PNG
(CHEMBL4463326)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H49N5O5S2/c1-22(2)18-29(38-33(41)30-21-35-23(3)44-30)32(40)37-28(15-14-24-8-6-5-7-9-24)31(39)36-27(16-17-45(4,42)43)19-25-10-12-26(20-34)13-11-25/h10-13,16-17,21-22,24,27-29H,5-9,14-15,18-20,34H2,1-4H3,(H,36,39)(H,37,40)(H,38,41)/b17-16+/t27-,28+,29+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50430961
PNG
(CHEMBL2337844)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C104H128N14O18/c1-71(95(125)115-87(97(127)109-67-75-33-11-3-12-34-75)65-103(133)81-41-23-25-43-83(81)117-101(103)131)111-99(129)85(63-73-51-55-79(56-52-73)135-69-77-37-15-5-16-38-77)113-93(123)49-22-10-32-62-107-91(121)47-20-8-30-60-105-89(119)45-19-7-29-59-106-90(120)46-21-9-31-61-108-92(122)48-27-28-50-94(124)114-86(64-74-53-57-80(58-54-74)136-70-78-39-17-6-18-40-78)100(130)112-72(2)96(126)116-88(98(128)110-68-76-35-13-4-14-36-76)66-104(134)82-42-24-26-44-84(82)118-102(104)132/h3-6,11-18,23-26,33-44,51-58,71-72,85-88,133-134H,7-10,19-22,27-32,45-50,59-70H2,1-2H3,(H,105,119)(H,106,120)(H,107,121)(H,108,122)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,123)(H,114,124)(H,115,125)(H,116,126)(H,117,131)(H,118,132)/t71-,72-,85-,86-,87-,88-,103+,104+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517633
PNG
(CHEMBL4471150)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CCC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H51N7O5/c1-24(2)32(36(48)40-29(33(45)37(3)23-49-37)19-18-25-10-6-4-7-11-25)42-34(46)30(20-27-14-16-28(22-38)17-15-27)41-35(47)31(43-44-39)21-26-12-8-5-9-13-26/h5,8-9,12-17,24-25,29-32H,4,6-7,10-11,18-23,38H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50426994
PNG
(CHEMBL2326533)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50430968
PNG
(CHEMBL2337847)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C128H172N18O22/c1-91(119(157)143-107(121(159)137-87-95-45-15-3-16-46-95)85-127(165)101-53-31-33-55-103(101)145-125(127)163)139-123(161)105(83-93-67-71-99(72-68-93)167-89-97-49-19-5-20-50-97)141-117(155)65-29-13-43-81-133-113(151)61-25-9-39-77-129-109(147)57-23-7-37-75-131-111(149)59-27-11-41-79-135-115(153)63-35-36-64-116(154)136-80-42-12-28-60-112(150)132-76-38-8-24-58-110(148)130-78-40-10-26-62-114(152)134-82-44-14-30-66-118(156)142-106(84-94-69-73-100(74-70-94)168-90-98-51-21-6-22-52-98)124(162)140-92(2)120(158)144-108(122(160)138-88-96-47-17-4-18-48-96)86-128(166)102-54-32-34-56-104(102)146-126(128)164/h3-6,15-22,31-34,45-56,67-74,91-92,105-108,165-166H,7-14,23-30,35-44,57-66,75-90H2,1-2H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,155)(H,142,156)(H,143,157)(H,144,158)(H,145,163)(H,146,164)/t91-,92-,105-,106-,107-,108-,127+,128+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50430969
PNG
(CHEMBL2337846)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C116H150N16O20/c1-81(107(141)129-97(109(143)123-77-85-39-13-3-14-40-85)75-115(149)91-47-27-29-49-93(91)131-113(115)147)125-111(145)95(73-83-59-63-89(64-60-83)151-79-87-43-17-5-18-44-87)127-105(139)57-25-11-37-71-119-101(135)53-21-7-33-67-117-99(133)51-23-9-35-69-121-103(137)55-31-32-56-104(138)122-70-36-10-24-52-100(134)118-68-34-8-22-54-102(136)120-72-38-12-26-58-106(140)128-96(74-84-61-65-90(66-62-84)152-80-88-45-19-6-20-46-88)112(146)126-82(2)108(142)130-98(110(144)124-78-86-41-15-4-16-42-86)76-116(150)92-48-28-30-50-94(92)132-114(116)148/h3-6,13-20,27-30,39-50,59-66,81-82,95-98,149-150H,7-12,21-26,31-38,51-58,67-80H2,1-2H3,(H,117,133)(H,118,134)(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,139)(H,128,140)(H,129,141)(H,130,142)(H,131,147)(H,132,148)/t81-,82-,95-,96-,97-,98-,115+,116+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517625
PNG
(CHEMBL4515041)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CC1CCC(CC1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C38H57N5O5S2/c1-25(2)20-33(43-38(46)35-24-40-26(3)49-35)37(45)42-34(22-28-14-16-31(17-15-28)30-8-6-5-7-9-30)36(44)41-32(18-19-50(4,47)48)21-27-10-12-29(23-39)13-11-27/h10-13,18-19,24-25,28,30-34H,5-9,14-17,20-23,39H2,1-4H3,(H,41,44)(H,42,45)(H,43,46)/b19-18+/t28?,31?,32-,33+,34+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50430970
PNG
(CHEMBL2337845)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C110H139N15O19/c1-76(101(133)122-92(103(135)116-72-80-36-12-3-13-37-80)70-109(141)86-44-25-27-46-88(86)124-107(109)139)118-105(137)90(68-78-55-59-84(60-56-78)143-74-82-40-16-5-17-41-82)120-99(131)53-24-11-35-67-114-97(129)51-22-9-33-65-112-95(127)49-20-7-31-63-111-94(126)48-21-8-32-64-113-96(128)50-23-10-34-66-115-98(130)52-29-30-54-100(132)121-91(69-79-57-61-85(62-58-79)144-75-83-42-18-6-19-43-83)106(138)119-77(2)102(134)123-93(104(136)117-73-81-38-14-4-15-39-81)71-110(142)87-45-26-28-47-89(87)125-108(110)140/h3-6,12-19,25-28,36-47,55-62,76-77,90-93,141-142H,7-11,20-24,29-35,48-54,63-75H2,1-2H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,131)(H,121,132)(H,122,133)(H,123,134)(H,124,139)(H,125,140)/t76-,77-,90-,91-,92-,93-,109+,110+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517624
PNG
(CHEMBL4444586)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CC1CCC2CCCCC2C1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H53N5O5S2/c1-23(2)17-31(41-36(44)33-22-38-24(3)47-33)35(43)40-32(20-27-13-14-28-7-5-6-8-29(28)18-27)34(42)39-30(15-16-48(4,45)46)19-25-9-11-26(21-37)12-10-25/h9-12,15-16,22-23,27-32H,5-8,13-14,17-21,37H2,1-4H3,(H,39,42)(H,40,43)(H,41,44)/b16-15+/t27?,28?,29?,30-,31+,32+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517616
PNG
(CHEMBL4550571)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)(C)F)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H46FN7O5S/c1-22(2)17-27(38-31(43)28(40-41-36)19-23-9-7-6-8-10-23)30(42)39-29(20-33(3,4)34)32(44)37-26(15-16-47(5,45)46)18-24-11-13-25(21-35)14-12-24/h6-16,22,26-29H,17-21,35H2,1-5H3,(H,37,44)(H,38,43)(H,39,42)/b16-15+/t26-,27+,28+,29+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517596
PNG
(CHEMBL4450505)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C32H47N5O5S2/c1-21(2)16-27(30(38)35-26(14-15-44(4,41)42)17-24-10-12-25(19-33)13-11-24)36-31(39)28(18-23-8-6-5-7-9-23)37-32(40)29-20-34-22(3)43-29/h10-15,20-21,23,26-28H,5-9,16-19,33H2,1-4H3,(H,35,38)(H,36,39)(H,37,40)/b15-14+/t26-,27+,28+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50430962
PNG
(CHEMBL2337843)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185156
PNG
(CHEMBL210439 | Hmb-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C
Show InChI InChI=1S/C28H42N4O7/c1-7-39-24(35)14-11-19(15-16(2)3)30-27(37)21(12-13-23(29)34)31-28(38)25(17(4)5)32-26(36)20-9-8-10-22(33)18(20)6/h8-11,14,16-17,19,21,25,33H,7,12-13,15H2,1-6H3,(H2,29,34)(H,30,37)(H,31,38)(H,32,36)/b14-11+/t19-,21+,25+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517635
PNG
(CHEMBL4542603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C31H40F3N7O5S/c1-20(2)15-25(38-29(43)26(40-41-36)17-21-7-5-4-6-8-21)28(42)39-27(18-31(32,33)34)30(44)37-24(13-14-47(3,45)46)16-22-9-11-23(19-35)12-10-22/h4-14,20,24-27H,15-19,35H2,1-3H3,(H,37,44)(H,38,43)(H,39,42)/b14-13+/t24-,25+,26+,27+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50426996
PNG
(CHEMBL2326261)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C37H48N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-18,25,31-34H,19-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/b18-17+/t31-,32+,33+,34+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)


Article DOI: 10.1021/jm3016987
BindingDB Entry DOI: 10.7270/Q2TQ62VM
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517648
PNG
(CHEMBL4471154)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-21(2)17-27(35-31(38)28(18-22(3)4)34-29(36)25-9-7-6-8-10-25)30(37)33-26(15-16-41(5,39)40)19-23-11-13-24(20-32)14-12-23/h6-16,21-22,26-28H,17-20,32H2,1-5H3,(H,33,37)(H,34,36)(H,35,38)/b16-15+/t26-,27+,28+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517618
PNG
(CHEMBL4546121)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C29H39N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-14,20,24-26H,15-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/b14-13+/t24-,25+,26+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50526811
PNG
(KZR-616 | Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517613
PNG
(CHEMBL4549724)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(nc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H47N5O5S/c1-24(2)19-32(35(43)39-30(17-18-47(5,45)46)21-26-11-13-27(22-37)14-12-26)41-36(44)33(20-25(3)4)40-34(42)29-15-16-31(38-23-29)28-9-7-6-8-10-28/h6-18,23-25,30,32-33H,19-22,37H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/b18-17+/t30-,32+,33+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
20S proteasome


(Homo sapiens (Human))
BDBM50517602
PNG
(CHEMBL4435519)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H49N5O5S2/c1-21(2)16-28(38-33(41)30-20-35-23(4)44-30)32(40)37-29(18-25-8-6-22(3)7-9-25)31(39)36-27(14-15-45(5,42)43)17-24-10-12-26(19-34)13-11-24/h10-15,20-22,25,27-29H,6-9,16-19,34H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)/b15-14+/t22?,25?,27-,28+,29+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517649
PNG
(CHEMBL4457630)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C30H49N5O6S/c1-21(2)16-26(33-28(36)20-35-11-13-41-14-12-35)30(38)34-27(17-22(3)4)29(37)32-25(10-15-42(5,39)40)18-23-6-8-24(19-31)9-7-23/h6-10,15,21-22,25-27H,11-14,16-20,31H2,1-5H3,(H,32,37)(H,33,36)(H,34,38)/b15-10+/t25-,26+,27+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185159
PNG
(CHEMBL208162 | Hmb-Phe-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C32H42N4O7/c1-5-43-29(39)17-14-23(18-20(2)3)34-31(41)25(15-16-28(33)38)35-32(42)26(19-22-10-7-6-8-11-22)36-30(40)24-12-9-13-27(37)21(24)4/h6-14,17,20,23,25-26,37H,5,15-16,18-19H2,1-4H3,(H2,33,38)(H,34,41)(H,35,42)(H,36,40)/b17-14+/t23-,25+,26+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517598
PNG
(CHEMBL4543211)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C35H50N8O6S/c1-23(2)17-29(33(45)39-28(15-16-50(5,48)49)19-26-11-13-27(21-36)14-12-26)41-34(46)30(18-24(3)4)42-35(47)31(40-32(44)22-38-43-37)20-25-9-7-6-8-10-25/h6-16,23-24,28-31H,17-22,36H2,1-5H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)/b16-15+/t28-,29+,30+,31+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517623
PNG
(CHEMBL4467279)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C32H47N5O5S2/c1-21(2)16-27(37-32(40)29-20-34-22(3)43-29)31(39)36-28(18-23-8-6-5-7-9-23)30(38)35-26(14-15-44(4,41)42)17-24-10-12-25(19-33)13-11-24/h10-15,20-21,23,26-28H,5-9,16-19,33H2,1-4H3,(H,35,38)(H,36,39)(H,37,40)/b15-14+/t26-,27+,28+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517646
PNG
(CHEMBL4446148)
Show SMILES Cc1ncc(s1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C35H51N5O5S2/c1-24-37-23-32(46-24)35(43)40-31(21-26-11-7-4-8-12-26)34(42)39-30(20-25-9-5-3-6-10-25)33(41)38-29(17-18-47(2,44)45)19-27-13-15-28(22-36)16-14-27/h13-18,23,25-26,29-31H,3-12,19-22,36H2,1-2H3,(H,38,41)(H,39,42)(H,40,43)/b18-17+/t29-,30+,31+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517638
PNG
(CHEMBL4465228)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](CC1CCCC2CCCCC12)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H53N5O5S2/c1-23(2)18-31(41-36(44)33-22-38-24(3)47-33)35(43)40-32(20-28-10-7-9-27-8-5-6-11-30(27)28)34(42)39-29(16-17-48(4,45)46)19-25-12-14-26(21-37)15-13-25/h12-17,22-23,27-32H,5-11,18-21,37H2,1-4H3,(H,39,42)(H,40,43)(H,41,44)/b17-16+/t27?,28?,29-,30?,31+,32+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185155
PNG
(CHEMBL207774 | H-Phe-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H45N5O6/c1-6-40-25(36)15-12-21(16-18(2)3)32-28(38)23(13-14-24(31)35)33-29(39)26(19(4)5)34-27(37)22(30)17-20-10-8-7-9-11-20/h7-12,15,18-19,21-23,26H,6,13-14,16-17,30H2,1-5H3,(H2,31,35)(H,32,38)(H,33,39)(H,34,37)/b15-12+/t21-,22+,23+,26+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517597
PNG
(CHEMBL4589564)
Show SMILES COC1CCC(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c2cnc(C)s2)C(=O)N[C@@H](Cc2ccc(CN)cc2)\C=C\S(C)(=O)=O)CC1
Show InChI InChI=1S/C33H49N5O6S2/c1-21(2)16-28(38-33(41)30-20-35-22(3)45-30)32(40)37-29(18-24-10-12-27(44-4)13-11-24)31(39)36-26(14-15-46(5,42)43)17-23-6-8-25(19-34)9-7-23/h6-9,14-15,20-21,24,26-29H,10-13,16-19,34H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)/b15-14+/t24?,26-,27?,28+,29+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50517618
PNG
(CHEMBL4546121)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C29H39N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-14,20,24-26H,15-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/b14-13+/t24-,25+,26+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
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