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Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'weyburne' and Initial = 'es'   
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-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r,wU:17.18,wD:34.37,4.3,(15.13,-25.2,;13.81,-25.98,;13.82,-27.51,;12.48,-25.22,;12.48,-23.68,;11.14,-22.91,;9.81,-23.68,;9.81,-25.22,;8.48,-22.91,;7.08,-23.52,;6.05,-22.38,;6.82,-21.05,;6.2,-19.65,;8.32,-21.38,;13.81,-22.91,;13.81,-21.37,;15.14,-23.68,;16.48,-22.91,;16.48,-21.37,;17.81,-20.6,;19.14,-21.38,;20.46,-20.62,;20.48,-19.07,;19.14,-18.3,;17.8,-19.06,;21.81,-18.31,;23.14,-19.09,;24.47,-18.33,;24.48,-16.79,;23.15,-16.01,;21.81,-16.77,;17.81,-23.68,;17.81,-25.22,;19.14,-22.91,;20.48,-23.68,;20.48,-25.22,;21.81,-25.99,;21.8,-27.53,;23.14,-28.3,;24.47,-27.53,;25.81,-28.3,;27.14,-27.52,;24.47,-25.98,;23.13,-25.22,;21.81,-22.91,;23.15,-23.68,;24.48,-22.9,;25.81,-23.68,;23.7,-21.56,;25.25,-21.56,)|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 20n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 22n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 23n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r,wU:17.18,wD:29.31,4.3,(43.01,-8.6,;41.68,-9.38,;41.69,-10.91,;40.35,-8.61,;40.35,-7.07,;39.02,-6.3,;37.68,-7.07,;37.68,-8.61,;36.36,-6.3,;34.95,-6.92,;33.93,-5.77,;34.7,-4.45,;34.08,-3.04,;36.2,-4.77,;41.69,-6.3,;41.69,-4.76,;43.02,-7.07,;44.35,-6.3,;44.35,-4.76,;45.69,-3.99,;47.02,-4.77,;48.35,-4.01,;48.35,-2.47,;49.69,-1.7,;47.02,-1.69,;45.68,-2.46,;45.69,-7.07,;45.69,-8.61,;47.02,-6.3,;48.35,-7.07,;48.35,-8.61,;49.69,-9.38,;49.68,-10.92,;51.01,-11.69,;52.35,-10.92,;53.68,-11.69,;55.01,-10.92,;52.34,-9.37,;51.01,-8.61,;49.69,-6.3,;51.02,-7.07,;52.35,-6.29,;53.69,-7.07,;51.57,-4.95,;53.12,-4.95,)|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 39n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r,wU:7.6,wD:28.29,11.11,(51.98,-17.05,;50.65,-16.28,;49.31,-17.04,;49.3,-18.58,;47.97,-19.35,;46.64,-18.57,;45.31,-19.34,;45.31,-20.88,;43.98,-21.65,;42.64,-20.88,;42.64,-19.34,;41.31,-21.65,;41.31,-23.19,;42.64,-23.95,;43.96,-23.17,;42.65,-25.48,;39.97,-20.88,;38.64,-21.65,;38.64,-23.19,;37.31,-20.88,;35.91,-21.49,;34.89,-20.35,;35.66,-19.02,;35.03,-17.62,;37.16,-19.35,;46.64,-21.65,;46.64,-23.19,;47.98,-20.88,;49.31,-21.65,;49.31,-23.19,;50.64,-23.96,;50.64,-25.5,;51.97,-26.27,;53.3,-25.5,;54.64,-26.27,;55.97,-25.49,;53.3,-23.95,;51.97,-23.19,;50.64,-20.88,;51.98,-21.65,;53.31,-20.87,;54.64,-21.65,;52.53,-19.53,;54.08,-19.53,;46.64,-17.03,;47.98,-16.27,)|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r,wU:17.18,wD:34.37,4.3,(15.13,-25.2,;13.81,-25.98,;13.82,-27.51,;12.48,-25.22,;12.48,-23.68,;11.14,-22.91,;9.81,-23.68,;9.81,-25.22,;8.48,-22.91,;7.08,-23.52,;6.05,-22.38,;6.82,-21.05,;6.2,-19.65,;8.32,-21.38,;13.81,-22.91,;13.81,-21.37,;15.14,-23.68,;16.48,-22.91,;16.48,-21.37,;17.81,-20.6,;19.14,-21.38,;20.46,-20.62,;20.48,-19.07,;19.14,-18.3,;17.8,-19.06,;21.81,-18.31,;23.14,-19.09,;24.47,-18.33,;24.48,-16.79,;23.15,-16.01,;21.81,-16.77,;17.81,-23.68,;17.81,-25.22,;19.14,-22.91,;20.48,-23.68,;20.48,-25.22,;21.81,-25.99,;21.8,-27.53,;23.14,-28.3,;24.47,-27.53,;25.81,-28.3,;27.14,-27.52,;24.47,-25.98,;23.13,-25.22,;21.81,-22.91,;23.15,-23.68,;24.48,-22.9,;25.81,-23.68,;23.7,-21.56,;25.25,-21.56,)|
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 45n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50517612
PNG
(CHEMBL4577205)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C32H48N4O7/c1-22(33-28(37)20-36-15-17-42-18-16-36)30(39)35-27(19-24-9-12-25(41-3)13-10-24)31(40)34-26(29(38)32(2)21-43-32)14-11-23-7-5-4-6-8-23/h9-10,12-13,22-23,26-27H,4-8,11,14-21H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,32+/m0/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 immunoproteasome beta 5 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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 47n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 47n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517599
PNG
(CHEMBL4455846)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(C)s1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H45N5O5S2/c1-20(2)16-26(29(37)34-25(14-15-43(4,40)41)17-22-10-12-23(18-32)13-11-22)35-31(39)28(24-8-6-5-7-9-24)36-30(38)27-19-33-21(3)42-27/h10-15,19-20,24-26,28H,5-9,16-18,32H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/b15-14+/t25-,26+,28+/m1/s1
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n/an/a 47n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517612
PNG
(CHEMBL4577205)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C32H48N4O7/c1-22(33-28(37)20-36-15-17-42-18-16-36)30(39)35-27(19-24-9-12-25(41-3)13-10-24)31(40)34-26(29(38)32(2)21-43-32)14-11-23-7-5-4-6-8-23/h9-10,12-13,22-23,26-27H,4-8,11,14-21H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,32+/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517599
PNG
(CHEMBL4455846)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(C)s1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H45N5O5S2/c1-20(2)16-26(29(37)34-25(14-15-43(4,40)41)17-22-10-12-23(18-32)13-11-22)35-31(39)28(24-8-6-5-7-9-24)36-30(38)27-19-33-21(3)42-27/h10-15,19-20,24-26,28H,5-9,16-18,32H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/b15-14+/t25-,26+,28+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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 |r|
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 65n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517614
PNG
(CHEMBL4463454)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H42Cl2N4O5S/c1-19(2)14-27(30(39)35-24(12-13-43(5,41)42)16-21-6-8-22(18-34)9-7-21)37-31(40)28(15-20(3)4)36-29(38)25-17-23(32)10-11-26(25)33/h6-13,17,19-20,24,27-28H,14-16,18,34H2,1-5H3,(H,35,39)(H,36,38)(H,37,40)/b13-12+/t24-,27+,28+/m1/s1
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n/an/a 69n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517615
PNG
(CHEMBL4565730)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C29H43N5O5S2/c1-18(2)13-24(33-28(36)25(14-19(3)4)34-29(37)26-17-31-20(5)40-26)27(35)32-23(11-12-41(6,38)39)15-21-7-9-22(16-30)10-8-21/h7-12,17-19,23-25H,13-16,30H2,1-6H3,(H,32,35)(H,33,36)(H,34,37)/b12-11+/t23-,24+,25+/m1/s1
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n/an/a 72n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517610
PNG
(CHEMBL4545073)
Show SMILES COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C27H39N5O6S2/c1-17(2)12-22(31-27(35)24-15-29-18(3)39-24)25(33)32-23(16-38-4)26(34)30-21(10-11-40(5,36)37)13-19-6-8-20(14-28)9-7-19/h6-11,15,17,21-23H,12-14,16,28H2,1-5H3,(H,30,34)(H,31,35)(H,32,33)/b11-10+/t21-,22+,23+/m1/s1
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n/an/a 72n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517651
PNG
(CHEMBL4539247)
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](CC1CCC(C)CC1)C(=O)[C@@]1(C)CO1 |r,wU:7.7,34.36,20.29,wD:3.2,45.48,(66.53,-40.02,;65.2,-39.25,;63.87,-40.02,;65.2,-37.71,;63.87,-36.94,;62.53,-37.71,;62.53,-39.25,;61.2,-36.94,;61.2,-35.4,;60.1,-34.32,;60.49,-32.83,;59.39,-31.75,;57.9,-32.16,;56.8,-31.08,;55.32,-31.5,;57.52,-33.66,;58.62,-34.74,;59.87,-37.71,;58.53,-36.94,;58.53,-35.4,;57.2,-37.71,;55.86,-36.94,;54.53,-37.71,;53.2,-36.94,;51.87,-37.71,;51.86,-39.25,;53.21,-40.02,;54.53,-39.25,;57.2,-39.25,;58.53,-40.02,;59.86,-40.79,;66.53,-36.94,;66.53,-35.4,;67.87,-37.71,;69.2,-36.94,;69.2,-35.4,;68,-34.21,;66.57,-34.76,;65.38,-33.8,;65.61,-32.28,;64.41,-31.32,;67.05,-31.71,;68.24,-32.69,;70.53,-37.71,;70.53,-39.25,;71.87,-36.94,;73.2,-37.71,;71.09,-35.6,;72.64,-35.59,)|
Show InChI InChI=1S/C37H51N7O5/c1-23(2)32(36(48)40-29(33(45)37(4)22-49-37)18-26-12-10-24(3)11-13-26)42-34(46)30(19-27-14-16-28(21-38)17-15-27)41-35(47)31(43-44-39)20-25-8-6-5-7-9-25/h5-9,14-17,23-24,26,29-32H,10-13,18-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t24?,26?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 73n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517610
PNG
(CHEMBL4545073)
Show SMILES COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C27H39N5O6S2/c1-17(2)12-22(31-27(35)24-15-29-18(3)39-24)25(33)32-23(16-38-4)26(34)30-21(10-11-40(5,36)37)13-19-6-8-20(14-28)9-7-19/h6-11,15,17,21-23H,12-14,16,28H2,1-5H3,(H,30,34)(H,31,35)(H,32,33)/b11-10+/t21-,22+,23+/m1/s1
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n/an/a 77n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517601
PNG
(CHEMBL4456245)
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](CC1CCCC2CCCCC12)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H55N7O5/c1-25(2)35(39(51)43-32(36(48)40(3)24-52-40)22-30-14-9-13-29-12-7-8-15-31(29)30)45-37(49)33(20-27-16-18-28(23-41)19-17-27)44-38(50)34(46-47-42)21-26-10-5-4-6-11-26/h4-6,10-11,16-19,25,29-35H,7-9,12-15,20-24,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t29?,30?,31?,32-,33-,34-,35-,40+/m0/s1
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n/an/a 97n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517651
PNG
(CHEMBL4539247)
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](CC1CCC(C)CC1)C(=O)[C@@]1(C)CO1 |r,wU:7.7,34.36,20.29,wD:3.2,45.48,(66.53,-40.02,;65.2,-39.25,;63.87,-40.02,;65.2,-37.71,;63.87,-36.94,;62.53,-37.71,;62.53,-39.25,;61.2,-36.94,;61.2,-35.4,;60.1,-34.32,;60.49,-32.83,;59.39,-31.75,;57.9,-32.16,;56.8,-31.08,;55.32,-31.5,;57.52,-33.66,;58.62,-34.74,;59.87,-37.71,;58.53,-36.94,;58.53,-35.4,;57.2,-37.71,;55.86,-36.94,;54.53,-37.71,;53.2,-36.94,;51.87,-37.71,;51.86,-39.25,;53.21,-40.02,;54.53,-39.25,;57.2,-39.25,;58.53,-40.02,;59.86,-40.79,;66.53,-36.94,;66.53,-35.4,;67.87,-37.71,;69.2,-36.94,;69.2,-35.4,;68,-34.21,;66.57,-34.76,;65.38,-33.8,;65.61,-32.28,;64.41,-31.32,;67.05,-31.71,;68.24,-32.69,;70.53,-37.71,;70.53,-39.25,;71.87,-36.94,;73.2,-37.71,;71.09,-35.6,;72.64,-35.59,)|
Show InChI InChI=1S/C37H51N7O5/c1-23(2)32(36(48)40-29(33(45)37(4)22-49-37)18-26-12-10-24(3)11-13-26)42-34(46)30(19-27-14-16-28(21-38)17-15-27)41-35(47)31(43-44-39)20-25-8-6-5-7-9-25/h5-9,14-17,23-24,26,29-32H,10-13,18-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t24?,26?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50517631
PNG
(CHEMBL4442052)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCC(CC2)C2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:11.11,26.27,wD:7.6,42.45,(44.27,-16.34,;44.27,-14.81,;42.93,-14.04,;41.6,-14.81,;40.27,-14.04,;40.28,-12.5,;38.95,-11.73,;38.95,-10.2,;37.62,-9.43,;36.28,-10.2,;36.28,-11.73,;34.95,-9.43,;34.95,-7.89,;33.62,-10.2,;32.29,-9.43,;32.29,-7.89,;30.96,-10.2,;29.63,-9.43,;29.64,-7.89,;28.31,-7.12,;26.98,-7.88,;26.97,-9.42,;28.3,-10.2,;40.28,-9.43,;40.28,-7.89,;41.61,-10.2,;42.94,-9.43,;42.94,-7.89,;41.78,-6.74,;40.22,-7.18,;39.07,-6.02,;39.49,-4.45,;41.06,-4.03,;42.21,-5.16,;38.34,-3.29,;38.77,-1.71,;37.62,-.56,;36.05,-.98,;35.62,-2.55,;36.77,-3.71,;44.27,-10.2,;44.27,-11.73,;45.6,-9.42,;46.94,-10.2,;44.83,-8.08,;46.37,-8.08,;41.6,-11.73,;42.93,-12.5,)|
Show InChI InChI=1S/C37H56N4O7/c1-25(38-33(42)23-41-17-19-47-20-18-41)35(44)40-32(22-27-11-15-30(46-3)16-12-27)36(45)39-31(34(43)37(2)24-48-37)21-26-9-13-29(14-10-26)28-7-5-4-6-8-28/h11-12,15-16,25-26,28-29,31-32H,4-10,13-14,17-24H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,26?,29?,31-,32-,37+/m0/s1
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n/an/a 100n/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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 106n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 110n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 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
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517612
PNG
(CHEMBL4577205)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C32H48N4O7/c1-22(33-28(37)20-36-15-17-42-18-16-36)30(39)35-27(19-24-9-12-25(41-3)13-10-24)31(40)34-26(29(38)32(2)21-43-32)14-11-23-7-5-4-6-8-23/h9-10,12-13,22-23,26-27H,4-8,11,14-21H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,32+/m0/s1
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n/an/a 124n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 in intact human RPMI8226 cells after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 |r|
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 130n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
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