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Compile Data Set for Download or QSAR

Found 934 hits of ic50 data for polymerid = 50004217   
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-8


(Homo sapiens (Human))
BDBM50526811
PNG
(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 |t:33|
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 0.0390n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554392
PNG
(CHEMBL4751044)
Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554394
PNG
(CHEMBL4784875)
Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1cccc2ccccc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554397
PNG
(CHEMBL4741140)
Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604290
PNG
(CHEMBL5175132)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NS(=O)(=O)c2ccc(C)cc2)cc1 |r|
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n/an/a 0.940n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604328
PNG
(CHEMBL5180795)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 20S immunoproteasome beta 5i subunit in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of PA28alpha by fluor...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099832
PNG
(CHEMBL3319587)
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|
Show InChI InChI=1S/C9H13NO3/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604287
PNG
(CHEMBL5201806)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CCCc2ccccc2)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554389
PNG
(CHEMBL4796570)
Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099830
PNG
(CHEMBL3319585)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16|
Show InChI InChI=1S/C8H11NO2S/c9-4-7(3-8(10)11)6-1-2-12-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554385
PNG
(CHEMBL4764897)
Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554386
PNG
(CHEMBL4758484)
Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50601642
PNG
(CHEMBL5188533)
Show SMILES CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1 |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604327
PNG
(CHEMBL5202276)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)C(=C\c1ccc(Cl)cc1)\C#N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388435
PNG
(US10294246, Compound No. 132)
Show SMILES OB(O)[C@H](C[C@@H]1COc2c1cccc2Cl)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H19BClNO4/c20-15-8-4-7-14-13(11-25-18(14)15)10-16(19(23)24)21-17(22)9-12-5-2-1-3-6-12/h1-8,13,16,23-24H,9-11H2,(H,21,22)/t13-,16+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50601652
PNG
(CHEMBL5191857)
Show SMILES COCCC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388321
PNG
(US10294246, Compound No. 18)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cnccn1 |r|
Show InChI InChI=1S/C16H16BN3O4/c21-16(8-12-9-18-5-6-19-12)20-15(17(22)23)7-11-10-24-14-4-2-1-3-13(11)14/h1-6,9-10,15,22-23H,7-8H2,(H,20,21)/t15-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604289
PNG
(CHEMBL5181060)
Show SMILES Cc1cc(no1)C(=O)N[C@@H](CNC(=O)CCl)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099659
PNG
(CHEMBL3319478)
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|
Show InChI InChI=1S/C22H11ClF2N2O/c23-17-6-2-4-8-20(17)27-21(12-9-14-5-1-3-7-18(14)25)26-19-11-10-15(24)13-16(19)22(27)28/h1-8,10-11,13H
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388309
PNG
(US10294246, Compound No. 6)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H18BNO4/c21-18(10-13-6-2-1-3-7-13)20-17(19(22)23)11-14-12-24-16-9-5-4-8-15(14)16/h1-9,12,17,22-23H,10-11H2,(H,20,21)/t17-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099831
PNG
(CHEMBL3319586)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C8H10ClNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)/t5-/m0/s1
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388395
PNG
(US10294246, Compound No. 92)
Show SMILES COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12 |r|
Show InChI InChI=1S/C19H20BNO5/c1-25-16-9-5-8-15-14(12-26-19(15)16)11-17(20(23)24)21-18(22)10-13-6-3-2-4-7-13/h2-9,12,17,23-24H,10-11H2,1H3,(H,21,22)/t17-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554384
PNG
(CHEMBL4784015)
Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r|
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Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388311
PNG
(US10294246, Compound No. 8)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cccnc1 |r|
Show InChI InChI=1S/C17H17BN2O4/c21-17(8-12-4-3-7-19-10-12)20-16(18(22)23)9-13-11-24-15-6-2-1-5-14(13)15/h1-7,10-11,16,22-23H,8-9H2,(H,20,21)/t16-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388323
PNG
(US10294246, Compound No. 20)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ncccn1 |r|
Show InChI InChI=1S/C16H16BN3O4/c21-16(9-15-18-6-3-7-19-15)20-14(17(22)23)8-11-10-24-13-5-2-1-4-12(11)13/h1-7,10,14,22-23H,8-9H2,(H,20,21)/t14-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50554395
PNG
(CHEMBL4763116)
Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12 |r|
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TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01520
BindingDB Entry DOI: 10.7270/Q22R3WB6
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604330
PNG
(CHEMBL5207139)
Show SMILES CCC(=O)NCCC(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604324
PNG
(CHEMBL5183361)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)C(=C\c2ccco2)\C#N)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604288
PNG
(CHEMBL5205273)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388437
PNG
(US10294246, Compound No. 134)
Show SMILES OB(O)[C@H](C[C@@H]1COc2c1cccc2Cl)NC(=O)Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H18BClN2O4/c21-16-7-3-6-15-14(11-27-19(15)16)8-17(20(25)26)23-18(24)9-12-4-1-2-5-13(12)10-22/h1-7,14,17,25-26H,8-9,11H2,(H,23,24)/t14-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


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



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099829
PNG
(CHEMBL3319584)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16|
Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099685
PNG
(CHEMBL3319578)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16|
Show InChI InChI=1S/C36H45N3O6/c1-22-28-13-9-8-12-26(28)20-29(22)34(42)37-23(2)33(41)39-31(19-25-14-16-27(44-4)17-15-25)35(43)38-30(32(40)36(3)21-45-36)18-24-10-6-5-7-11-24/h8-9,12-17,23-24,30-31H,5-7,10-11,18-21H2,1-4H3,(H,37,42)(H,38,43)(H,39,41)/t23-,30-,31-,36+/m0/s1
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(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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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388408
PNG
(US10294246, Compound No. 105)
Show SMILES OB(O)[C@H](C[C@@H]1COc2ccccc12)NC(=O)Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BN2O4/c21-11-14-6-2-1-5-13(14)10-19(23)22-18(20(24)25)9-15-12-26-17-8-4-3-7-16(15)17/h1-8,15,18,24-25H,9-10,12H2,(H,22,23)/t15-,18+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099660
PNG
(CHEMBL3319479)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C23H16ClF2N3O2/c1-14(30)28(21-9-5-3-7-18(21)26)13-22-27-19-11-10-15(25)12-16(19)23(31)29(22)20-8-4-2-6-17(20)24/h2-12H,13H2,1H3
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Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388427
PNG
(US10294246, Compound No. 124)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12 |r|
Show InChI InChI=1S/C19H22BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,15,17,23-24H,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388428
PNG
(US10294246, Compound No. 125)
Show SMILES OB(O)[C@H](Cc1coc2c(F)cccc12)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17BFNO4/c20-15-8-4-7-14-13(11-25-18(14)15)10-16(19(23)24)21-17(22)9-12-5-2-1-3-6-12/h1-8,11,16,23-24H,9-10H2,(H,21,22)/t16-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099833
PNG
(CHEMBL3319588)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16|
Show InChI InChI=1S/C8H10BrNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)/t5-/m0/s1
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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50601643
PNG
(CHEMBL5184466)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604283
PNG
(CHEMBL5172323)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1 |r|
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n/an/a 3.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50601643
PNG
(CHEMBL5184466)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50604322
PNG
(CHEMBL5198483)
Show SMILES Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)C(=C\c2ccc(Cl)cc2)\C#N)cc1 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114252
BindingDB Entry DOI: 10.7270/Q2J1077Z
More data for this
Ligand-Target Pair
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