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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50010377   
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-9


(Homo sapiens (Human))
BDBM50538158
PNG
(CHEMBL4632784)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H42N4O6/c1-21(2)17-26(30(40)33(4)20-43-33)35-31(41)27(18-23-12-14-25(15-13-23)24-9-6-5-7-10-24)36-32(42)28-11-8-16-37(28)29(39)19-34-22(3)38/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,34,38)(H,35,41)(H,36,42)/t26-,27-,28-,33+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538170
PNG
(CHEMBL4640135)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H40N4O6/c1-19(2)15-24(28(38)31(4)18-41-31)33-29(39)25(16-22-11-7-10-21-9-5-6-12-23(21)22)34-30(40)26-13-8-14-35(26)27(37)17-32-20(3)36/h5-7,9-12,19,24-26H,8,13-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538157
PNG
(CHEMBL4647658)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2cnccn2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C32H41N7O7/c1-19(2)14-23(28(42)32(4)18-46-32)37-29(43)24(38-31(45)26-6-5-13-39(26)27(41)17-35-20(3)40)15-21-7-9-22(10-8-21)36-30(44)25-16-33-11-12-34-25/h7-12,16,19,23-24,26H,5-6,13-15,17-18H2,1-4H3,(H,35,40)(H,36,44)(H,37,43)(H,38,45)/t23-,24-,26-,32+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538171
PNG
(CHEMBL4645467)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H40N4O6/c1-19(2)14-24(28(38)31(4)18-41-31)33-29(39)25(16-21-11-12-22-8-5-6-9-23(22)15-21)34-30(40)26-10-7-13-35(26)27(37)17-32-20(3)36/h5-6,8-9,11-12,15,19,24-26H,7,10,13-14,16-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


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



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538173
PNG
(CHEMBL4635741)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C28H40N4O6/c1-18(2)15-22(25(35)28(4)17-38-28)31-26(36)21(13-12-20-9-6-5-7-10-20)30-27(37)23-11-8-14-32(23)24(34)16-29-19(3)33/h5-7,9-10,18,21-23H,8,11-17H2,1-4H3,(H,29,33)(H,30,37)(H,31,36)/t21-,22-,23-,28+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538186
PNG
(CHEMBL4639058)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O6/c1-23(2)18-27(32(44)36(3)22-48-36)40-34(46)28(19-24-11-13-26(14-12-24)25-8-5-4-6-9-25)41-35(47)30-10-7-17-42(30)31(43)21-39-33(45)29-20-37-15-16-38-29/h4-6,8-9,11-16,20,23,27-28,30H,7,10,17-19,21-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t27-,28-,30-,36+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538188
PNG
(CHEMBL4649310)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538165
PNG
(CHEMBL4634638)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H36F2N4O6/c1-16(2)10-19(23(36)26(4)15-39-26)31-24(37)20(11-18-8-6-5-7-9-18)32-25(38)21-12-27(28,29)14-33(21)22(35)13-30-17(3)34/h5-9,16,19-21H,10-15H2,1-4H3,(H,30,34)(H,31,37)(H,32,38)/t19-,20-,21-,26+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538168
PNG
(CHEMBL4636386)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H43N5O7/c1-21(2)17-26(30(42)34(4)20-46-34)37-32(44)27(38-33(45)28-11-8-16-39(28)29(41)19-35-22(3)40)18-23-12-14-25(15-13-23)36-31(43)24-9-6-5-7-10-24/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,35,40)(H,36,43)(H,37,44)(H,38,45)/t26-,27-,28-,34+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538166
PNG
(CHEMBL4638678)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H37FN4O6/c1-16(2)12-20(24(35)27(4)15-38-27)30-25(36)21(13-18-7-9-19(28)10-8-18)31-26(37)22-6-5-11-32(22)23(34)14-29-17(3)33/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t20-,21-,22-,27+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538185
PNG
(CHEMBL4638653)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H40N6O6/c1-21(2)15-25(30(42)34(3)20-46-34)38-32(44)26(17-22-10-11-23-7-4-5-8-24(23)16-22)39-33(45)28-9-6-14-40(28)29(41)19-37-31(43)27-18-35-12-13-36-27/h4-5,7-8,10-13,16,18,21,25-26,28H,6,9,14-15,17,19-20H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)/t25-,26-,28-,34+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538167
PNG
(CHEMBL4632813)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)CN2CCOCC2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H48N6O8/c1-21(2)16-25(30(43)33(4)20-47-33)36-31(44)26(37-32(45)27-6-5-11-39(27)29(42)18-34-22(3)40)17-23-7-9-24(10-8-23)35-28(41)19-38-12-14-46-15-13-38/h7-10,21,25-27H,5-6,11-20H2,1-4H3,(H,34,40)(H,35,41)(H,36,44)(H,37,45)/t25-,26-,27-,33+/m0/s1
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n/an/a 91n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538154
PNG
(CHEMBL4646714)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C26H36N4O6/c1-16(2)12-19(23(33)26(4)15-36-26)28-24(34)20(13-18-8-6-5-7-9-18)29-25(35)21-10-11-30(21)22(32)14-27-17(3)31/h5-9,16,19-21H,10-15H2,1-4H3,(H,27,31)(H,28,34)(H,29,35)/t19-,20-,21-,26+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538161
PNG
(CHEMBL4646371)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1
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n/an/a 103n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538181
PNG
(CHEMBL4642756)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H41N5O6S/c1-19(2)15-23(27(38)31(4)18-42-31)35-28(39)22(13-12-21-9-6-5-7-10-21)34-29(40)24-11-8-14-36(24)26(37)17-33-30(41)25-16-32-20(3)43-25/h5-7,9-10,16,19,22-24H,8,11-15,17-18H2,1-4H3,(H,33,41)(H,34,40)(H,35,39)/t22-,23-,24-,31+/m0/s1
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n/an/a 103n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538177
PNG
(CHEMBL4647618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H39N5O6S/c1-18(2)13-21(26(37)30(4)17-41-30)33-27(38)22(14-20-9-6-5-7-10-20)34-28(39)23-11-8-12-35(23)25(36)16-32-29(40)24-15-31-19(3)42-24/h5-7,9-10,15,18,21-23H,8,11-14,16-17H2,1-4H3,(H,32,40)(H,33,38)(H,34,39)/t21-,22-,23-,30+/m0/s1
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n/an/a 106n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538180
PNG
(CHEMBL4644716)
Show SMILES COc1cnc(cn1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H40N6O7/c1-19(2)13-21(27(39)31(3)18-44-31)35-29(41)22(14-20-9-6-5-7-10-20)36-30(42)24-11-8-12-37(24)26(38)17-34-28(40)23-15-33-25(43-4)16-32-23/h5-7,9-10,15-16,19,21-22,24H,8,11-14,17-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/t21-,22-,24-,31+/m0/s1
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n/an/a 111n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538183
PNG
(CHEMBL4639510)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H43N5O6S/c1-22(2)17-27(32(43)36(4)21-47-36)39-33(44)28(18-24-12-14-26(15-13-24)25-9-6-5-7-10-25)40-34(45)29-11-8-16-41(29)31(42)20-38-35(46)30-19-37-23(3)48-30/h5-7,9-10,12-15,19,22,27-29H,8,11,16-18,20-21H2,1-4H3,(H,38,46)(H,39,44)(H,40,45)/t27-,28-,29-,36+/m0/s1
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n/an/a 115n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538179
PNG
(CHEMBL4648714)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNS(C)(=O)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C26H38N4O7S/c1-17(2)13-19(23(32)26(3)16-37-26)28-24(33)20(14-18-9-6-5-7-10-18)29-25(34)21-11-8-12-30(21)22(31)15-27-38(4,35)36/h5-7,9-10,17,19-21,27H,8,11-16H2,1-4H3,(H,28,33)(H,29,34)/t19-,20-,21-,26+/m0/s1
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n/an/a 115n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538160
PNG
(CHEMBL4641615)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C24H40N4O6/c1-6-7-9-17(22(32)27-18(12-15(2)3)21(31)24(5)14-34-24)26-23(33)19-10-8-11-28(19)20(30)13-25-16(4)29/h15,17-19H,6-14H2,1-5H3,(H,25,29)(H,26,33)(H,27,32)/t17-,18-,19-,24+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538156
PNG
(CHEMBL4648045)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C21H34N4O7/c1-12(2)8-14(18(29)21(4)11-32-21)23-19(30)15(10-26)24-20(31)16-6-5-7-25(16)17(28)9-22-13(3)27/h12,14-16,26H,5-11H2,1-4H3,(H,22,27)(H,23,30)(H,24,31)/t14-,15-,16-,21+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538159
PNG
(CHEMBL4633656)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H46N4O6/c1-19(2)15-23(27(38)31(7)18-41-31)33-28(39)24(16-21-10-12-22(13-11-21)30(4,5)6)34-29(40)25-9-8-14-35(25)26(37)17-32-20(3)36/h10-13,19,23-25H,8-9,14-18H2,1-7H3,(H,32,36)(H,33,39)(H,34,40)/t23-,24-,25-,31+/m0/s1
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n/an/a 121n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538169
PNG
(CHEMBL4639436)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C26H37N5O6/c1-16(2)12-19(23(34)26(4)15-37-26)29-24(35)20(13-18-7-9-27-10-8-18)30-25(36)21-6-5-11-31(21)22(33)14-28-17(3)32/h7-10,16,19-21H,5-6,11-15H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t19-,20-,21-,26+/m0/s1
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n/an/a 122n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538163
PNG
(CHEMBL4646689)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C28H40N4O6/c1-18(2)14-21(25(35)28(4)17-38-28)30-26(36)22(15-20-10-6-5-7-11-20)31-27(37)23-12-8-9-13-32(23)24(34)16-29-19(3)33/h5-7,10-11,18,21-23H,8-9,12-17H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t21-,22-,23-,28+/m0/s1
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n/an/a 123n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538184
PNG
(CHEMBL4637602)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H40N6O6/c1-20(2)16-23(27(39)31(3)19-43-31)36-29(41)22(12-11-21-8-5-4-6-9-21)35-30(42)25-10-7-15-37(25)26(38)18-34-28(40)24-17-32-13-14-33-24/h4-6,8-9,13-14,17,20,22-23,25H,7,10-12,15-16,18-19H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/t22-,23-,25-,31+/m0/s1
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n/an/a 131n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538153
PNG
(CHEMBL4648067)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(F)(F)F)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H35F3N4O6/c1-16(2)12-18(22(36)26(3)15-40-26)32-23(37)19(13-17-8-5-4-6-9-17)33-24(38)20-10-7-11-34(20)21(35)14-31-25(39)27(28,29)30/h4-6,8-9,16,18-20H,7,10-15H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)/t18-,19-,20-,26+/m0/s1
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n/an/a 131n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538187
PNG
(CHEMBL4638253)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H41N5O7/c1-19(2)15-23(27(38)31(4)18-42-31)34-29(40)22(13-12-21-9-6-5-7-10-21)33-30(41)25-11-8-14-36(25)26(37)17-32-28(39)24-16-20(3)43-35-24/h5-7,9-10,16,19,22-23,25H,8,11-15,17-18H2,1-4H3,(H,32,39)(H,33,41)(H,34,40)/t22-,23-,25-,31+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538172
PNG
(CHEMBL4634764)
Show SMILES CCc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C29H42N4O6/c1-6-20-9-11-21(12-10-20)15-23(27(37)31-22(14-18(2)3)26(36)29(5)17-39-29)32-28(38)24-8-7-13-33(24)25(35)16-30-19(4)34/h9-12,18,22-24H,6-8,13-17H2,1-5H3,(H,30,34)(H,31,37)(H,32,38)/t22-,23-,24-,29+/m0/s1
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n/an/a 134n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538178
PNG
(CHEMBL4640464)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(O)n1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H39N5O7/c1-19(2)15-22(27(39)31(3)18-43-31)34-29(41)23(16-20-9-5-4-6-10-20)35-30(42)24-12-8-14-36(24)26(38)17-32-28(40)21-11-7-13-25(37)33-21/h4-7,9-11,13,19,22-24H,8,12,14-18H2,1-3H3,(H,32,40)(H,33,37)(H,34,41)(H,35,42)/t22-,23-,24-,31+/m0/s1
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n/an/a 143n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538155
PNG
(CHEMBL4641703)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H37FN4O6/c1-16(2)10-20(24(35)27(4)15-38-27)30-25(36)21(11-18-8-6-5-7-9-18)31-26(37)22-12-19(28)14-32(22)23(34)13-29-17(3)33/h5-9,16,19-22H,10-15H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t19-,20+,21+,22+,27-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538162
PNG
(CHEMBL4649288)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C28H40N4O6/c1-18(2)14-21(24(35)28(5)17-38-28)30-25(36)22(15-20-10-7-6-8-11-20)31-26(37)27(4)12-9-13-32(27)23(34)16-29-19(3)33/h6-8,10-11,18,21-22H,9,12-17H2,1-5H3,(H,29,33)(H,30,36)(H,31,37)/t21-,22-,27-,28+/m0/s1
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n/an/a 152n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538182
PNG
(CHEMBL4635928)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H41N5O6S/c1-20(2)14-25(30(41)34(4)19-45-34)37-31(42)26(16-22-11-12-23-8-5-6-9-24(23)15-22)38-32(43)27-10-7-13-39(27)29(40)18-36-33(44)28-17-35-21(3)46-28/h5-6,8-9,11-12,15,17,20,25-27H,7,10,13-14,16,18-19H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t25-,26-,27-,34+/m0/s1
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n/an/a 183n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538174
PNG
(CHEMBL4640221)
Show SMILES CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H42N4O6/c1-20(35)31-18-26(36)34-15-9-14-25(34)29(39)33-24(17-22-12-7-4-8-13-22)28(38)32-23(27(37)30(2)19-40-30)16-21-10-5-3-6-11-21/h4,7-8,12-13,21,23-25H,3,5-6,9-11,14-19H2,1-2H3,(H,31,35)(H,32,38)(H,33,39)/t23-,24-,25-,30+/m0/s1
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n/an/a 201n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50538161
PNG
(CHEMBL4646371)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1
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n/an/a 207n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta1 subunit in human 20S proteasome using Ac-nLPnLD-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538175
PNG
(CHEMBL4646076)
Show SMILES CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H36N4O6/c1-20(35)31-18-26(36)34-15-9-14-25(34)29(39)33-24(17-22-12-7-4-8-13-22)28(38)32-23(27(37)30(2)19-40-30)16-21-10-5-3-6-11-21/h3-8,10-13,23-25H,9,14-19H2,1-2H3,(H,31,35)(H,32,38)(H,33,39)/t23-,24-,25-,30+/m0/s1
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n/an/a 342n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 473n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50538188
PNG
(CHEMBL4649310)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1
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n/an/a 590n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta1 subunit in human 20S proteasome using Ac-nLPnLD-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538164
PNG
(CHEMBL4643357)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)CN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H36N4O7/c1-16(2)10-20(24(35)27(4)15-38-27)29-25(36)21(11-18-8-6-5-7-9-18)30-26(37)22-12-19(33)14-31(22)23(34)13-28-17(3)32/h5-9,16,20-22H,10-15H2,1-4H3,(H,28,32)(H,29,36)(H,30,37)/t20-,21-,22-,27+/m0/s1
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n/an/a 622n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538176
PNG
(CHEMBL4634376)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)n1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C29H36N4O6/c1-18(2)15-21(25(35)29(3)17-39-29)31-26(36)22(16-19-9-5-4-6-10-19)32-27(37)23-12-8-14-33(23)28(38)20-11-7-13-24(34)30-20/h4-7,9-11,13,18,21-23H,8,12,14-17H2,1-3H3,(H,30,34)(H,31,36)(H,32,37)/t21-,22-,23-,29+/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538151
PNG
(CHEMBL4637682)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CN1CCOCC1=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C29H40N4O7/c1-19(2)14-21(26(36)29(3)18-40-29)30-27(37)22(15-20-8-5-4-6-9-20)31-28(38)23-10-7-11-33(23)24(34)16-32-12-13-39-17-25(32)35/h4-6,8-9,19,21-23H,7,10-18H2,1-3H3,(H,30,37)(H,31,38)/t21-,22-,23-,29+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50538152
PNG
(CHEMBL4645332)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CN1CCOCC1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C29H42N4O6/c1-20(2)16-22(26(35)29(3)19-39-29)30-27(36)23(17-21-8-5-4-6-9-21)31-28(37)24-10-7-11-33(24)25(34)18-32-12-14-38-15-13-32/h4-6,8-9,20,22-24H,7,10-19H2,1-3H3,(H,30,36)(H,31,37)/t22-,23-,24-,29+/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 4.76E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta1 subunit in human 20S proteasome using Ac-nLPnLD-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50538161
PNG
(CHEMBL4646371)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50538188
PNG
(CHEMBL4649310)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50538189
PNG
(CHEMBL4635132)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@]1(C)CO1 |r|
Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50538189
PNG
(CHEMBL4635132)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@]1(C)CO1 |r|
Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00416
BindingDB Entry DOI: 10.7270/Q2HH6PM2
More data for this
Ligand-Target Pair
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