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Compile Data Set for Download or QSAR

Found 154 hits of ic50 data for polymerid = 50006564   
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
Proteasome subunit beta type-10


(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 0.131n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2i (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
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50329819
PNG
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2i (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
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
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
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
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
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
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
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
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 28n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
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
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
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50529640
PNG
(CHEMBL4452892)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccc(C)cc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H52N4O5/c1-26(2)22-31(38-33(42)24-41-20-10-5-6-11-21-41)35(44)40-32(23-29-12-8-7-9-13-29)36(45)39-30(34(43)37(4)25-46-37)19-18-28-16-14-27(3)15-17-28/h7-9,12-17,26,30-32H,5-6,10-11,18-25H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t30-,31-,32-,37+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of MECL1 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50529640
PNG
(CHEMBL4452892)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccc(C)cc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C37H52N4O5/c1-26(2)22-31(38-33(42)24-41-20-10-5-6-11-21-41)35(44)40-32(23-29-12-8-7-9-13-29)36(45)39-30(34(43)37(4)25-46-37)19-18-28-16-14-27(3)15-17-28/h7-9,12-17,26,30-32H,5-6,10-11,18-25H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t30-,31-,32-,37+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of MECL1 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of MECL1 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2i (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of MECL1 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274036
PNG
(CHEMBL4128478)
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)CS(F)(=O)=O
Show InChI InChI=1S/C31H44FN7O5S/c1-20(2)14-26(29(40)35-25(19-45(32,43)44)16-23-10-12-24(18-33)13-11-23)36-30(41)27(15-21(3)4)37-31(42)28(38-39-34)17-22-8-6-5-7-9-22/h5-13,20-21,25-28H,14-19,33H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/t25-,26-,27-,28-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(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 140n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517604
PNG
(CHEMBL4513509)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3CCCC[C@@H]23)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h11-14,23,25-26,28-30H,4-10,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25+,26-,28+,29-,30-,35+/m0/s1
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n/an/a 159n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 170n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 175n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517629
PNG
(CHEMBL4446214)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCC3CCCCC23)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h11-14,23,25-26,28-30H,4-10,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25?,26?,28?,29-,30-,35+/m0/s1
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n/an/a 180n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517604
PNG
(CHEMBL4513509)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3CCCC[C@@H]23)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h11-14,23,25-26,28-30H,4-10,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25+,26-,28+,29-,30-,35+/m0/s1
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n/an/a 190n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 200n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 200n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274033
PNG
(CHEMBL4128898)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)CS(F)(=O)=O
Show InChI InChI=1S/C30H44FN5O5S/c1-19(2)14-26(29(38)34-24(18-42(31,40)41)16-22-10-12-23(32)13-11-22)36-30(39)27(15-20(3)4)35-28(37)25(33)17-21-8-6-5-7-9-21/h5-13,19-20,24-27H,14-18,32-33H2,1-4H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517620
PNG
(CHEMBL4450180)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H49N5O5S2/c1-22(2)18-29(32(40)36-27(16-17-45(4,42)43)19-25-10-12-26(20-34)13-11-25)38-31(39)28(15-14-24-8-6-5-7-9-24)37-33(41)30-21-35-23(3)44-30/h10-13,16-17,21-22,24,27-29H,5-9,14-15,18-20,34H2,1-4H3,(H,36,40)(H,37,41)(H,38,39)/b17-16+/t27-,28+,29+/m1/s1
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n/an/a 204n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274034
PNG
(CHEMBL4128074)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CS(F)(=O)=O
Show InChI InChI=1S/C27H46FN7O5S/c1-17(2)13-22(25(37)33-20(16-41(28,39)40)11-8-12-32-27(30)31)35-26(38)23(14-18(3)4)34-24(36)21(29)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-23H,8,11-16,29H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)(H4,30,31,32)/t20-,21-,22-,23-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(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 230n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517640
PNG
(CHEMBL4447665)
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](CC1CCC2CCCCC2C1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C40H55N7O5/c1-25(2)35(39(51)43-32(36(48)40(3)24-52-40)22-29-17-18-30-11-7-8-12-31(30)19-29)45-37(49)33(20-27-13-15-28(23-41)16-14-27)44-38(50)34(46-47-42)21-26-9-5-4-6-10-26/h4-6,9-10,13-16,25,29-35H,7-8,11-12,17-24,41H2,1-3H3,(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 230n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 260n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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 280n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274041
PNG
(CHEMBL4127967)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(F)(=O)=O
Show InChI InChI=1S/C27H46FN5O5S/c1-18(2)14-23(26(35)31-21(12-8-9-13-29)17-39(28,37)38)33-27(36)24(15-19(3)4)32-25(34)22(30)16-20-10-6-5-7-11-20/h5-7,10-11,18-19,21-24H,8-9,12-17,29-30H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t21-,22-,23-,24-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(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 325n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517636
PNG
(CHEMBL4541019)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H49N5O5S2/c1-21(2)16-28(31(39)36-27(14-15-45(5,42)43)17-24-10-12-26(19-34)13-11-24)37-32(40)29(18-25-8-6-22(3)7-9-25)38-33(41)30-20-35-23(4)44-30/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 325n/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
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
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 330n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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
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 350n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(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
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 350n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50273999
PNG
(CHEMBL4129702)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O
Show InChI InChI=1S/C31H46FN5O5S/c1-20(2)14-27(30(39)35-25(19-43(32,41)42)16-23-10-12-24(18-33)13-11-23)37-31(40)28(15-21(3)4)36-29(38)26(34)17-22-8-6-5-7-9-22/h5-13,20-21,25-28H,14-19,33-34H2,1-4H3,(H,35,39)(H,36,38)(H,37,40)/t25-,26-,27-,28-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(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 360n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517611
PNG
(CHEMBL4544868)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C[C@@H]2CCCC3CCCCC23)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h11-14,23,25-26,28-30H,4-10,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25?,26-,28?,29-,30-,35+/m0/s1
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n/an/a 380n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274010
PNG
(CHEMBL4126411)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O
Show InChI InChI=1S/C33H48FN5O6S/c1-21(2)15-28(31(41)37-27(20-46(34,44)45)17-25-11-13-26(19-35)14-12-25)38-32(42)29(16-22(3)4)39-33(43)30(36-23(5)40)18-24-9-7-6-8-10-24/h6-14,21-22,27-30H,15-20,35H2,1-5H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 395n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50274011
PNG
(CHEMBL4125911)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CS(F)(=O)=O
Show InChI InChI=1S/C35H52FN7O7S/c1-23(2)18-28(31(44)40-27(22-51(36,48)49)16-11-17-39-34(37)38)41-32(45)29(19-24(3)4)42-33(46)30(20-25-12-7-5-8-13-25)43-35(47)50-21-26-14-9-6-10-15-26/h5-10,12-15,23-24,27-30H,11,16-22H2,1-4H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome 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
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
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 410n/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 RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay


J Med Chem 62: 1626-1642 (2019)


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