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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'rogelj' and Initial = 's'   
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-5


(Homo sapiens (Human))
BDBM50470540
PNG
(CHEMBL4282642)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H30N2O6/c1-5-14(4)17-19(30-21(17)27)20(26)23-11-16(25)24-18(13(2)3)22(28)29-12-15-9-7-6-8-10-15/h6-10,13-14,17-19H,5,11-12H2,1-4H3,(H,23,26)(H,24,25)/t14-,17-,18-,19+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470557
PNG
(CHEMBL4290778)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H38N2O7/c1-5-20(4)24-26(39-30(24)36)28(34)32-25(19(2)3)27(33)31-23(18-37-16-21-12-8-6-9-13-21)29(35)38-17-22-14-10-7-11-15-22/h6-15,19-20,23-26H,5,16-18H2,1-4H3,(H,31,33)(H,32,34)/t20-,23-,24-,25-,26+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470536
PNG
(CHEMBL4292798)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H37N3O5/c1-7-16(6)18-21(33-25(18)32)24(31)28-20(15(4)5)23(30)27-19(14(2)3)22(29)26-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,30)(H,28,31)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470555
PNG
(CHEMBL4293394)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H38N2O6/c1-7-17(6)20-22(34-25(20)31)24(30)27-19(13-15(2)3)23(29)28-21(16(4)5)26(32)33-14-18-11-9-8-10-12-18/h8-12,15-17,19-22H,7,13-14H2,1-6H3,(H,27,30)(H,28,29)/t17-,19-,20-,21-,22+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470553
PNG
(CHEMBL4282369)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N2O6/c1-5-19(4)23-25(37-29(23)35)27(33)31-24(18(2)3)26(32)30-22(16-20-12-8-6-9-13-20)28(34)36-17-21-14-10-7-11-15-21/h6-15,18-19,22-25H,5,16-17H2,1-4H3,(H,30,32)(H,31,33)/t19-,22-,23-,24-,25+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470547
PNG
(CHEMBL4287467)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCCC=C |r|
Show InChI InChI=1S/C22H36N2O6/c1-8-10-11-29-22(28)17(13(5)6)24-19(25)16(12(3)4)23-20(26)18-15(14(7)9-2)21(27)30-18/h8,12-18H,1,9-11H2,2-7H3,(H,23,26)(H,24,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470539
PNG
(CHEMBL4293877)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6/c1-7-16(6)18-21(33-24(18)30)23(29)26-19(14(2)3)22(28)27-20(15(4)5)25(31)32-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,28)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470549
PNG
(CHEMBL4286462)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C1CC1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O6/c1-13(2)18(25-22(28)20-17(16-10-11-16)23(29)32-20)21(27)26-19(14(3)4)24(30)31-12-15-8-6-5-7-9-15/h5-9,13-14,16-20H,10-12H2,1-4H3,(H,25,28)(H,26,27)/t17-,18-,19-,20+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470561
PNG
(CHEMBL4292698)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H38N2O6/c1-7-17(6)20-22(34-26(20)32)24(30)28-21(16(4)5)23(29)27-19(13-15(2)3)25(31)33-14-18-11-9-8-10-12-18/h8-12,15-17,19-22H,7,13-14H2,1-6H3,(H,27,29)(H,28,30)/t17-,19-,20-,21-,22+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470556
PNG
(CHEMBL4282576)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H38N2O7/c1-5-20(4)24-26(39-29(24)35)28(34)31-23(18-37-16-21-12-8-6-9-13-21)27(33)32-25(19(2)3)30(36)38-17-22-14-10-7-11-15-22/h6-15,19-20,23-26H,5,16-18H2,1-4H3,(H,31,34)(H,32,33)/t20-,23-,24-,25-,26+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470552
PNG
(CHEMBL4281941)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N2O6/c1-5-19(4)23-25(37-28(23)34)27(33)30-22(16-20-12-8-6-9-13-20)26(32)31-24(18(2)3)29(35)36-17-21-14-10-7-11-15-21/h6-15,18-19,22-25H,5,16-17H2,1-4H3,(H,30,33)(H,31,32)/t19-,22-,23-,24-,25+/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470537
PNG
(CHEMBL4278729)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H35ClN2O6/c1-7-15(6)18-21(34-24(18)31)23(30)27-19(13(2)3)22(29)28-20(14(4)5)25(32)33-12-16-8-10-17(26)11-9-16/h8-11,13-15,18-21H,7,12H2,1-6H3,(H,27,30)(H,28,29)/t15-,18-,19-,20-,21+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470546
PNG
(CHEMBL4282198)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC(C)C |r|
Show InChI InChI=1S/C22H38N2O6/c1-9-14(8)15-18(30-21(15)27)20(26)23-16(12(4)5)19(25)24-17(13(6)7)22(28)29-10-11(2)3/h11-18H,9-10H2,1-8H3,(H,23,26)(H,24,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50470557
PNG
(CHEMBL4290778)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H38N2O7/c1-5-20(4)24-26(39-30(24)36)28(34)32-25(19(2)3)27(33)31-23(18-37-16-21-12-8-6-9-13-21)29(35)38-17-22-14-10-7-11-15-22/h6-15,19-20,23-26H,5,16-18H2,1-4H3,(H,31,33)(H,32,34)/t20-,23-,24-,25-,26+/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470559
PNG
(CHEMBL4285979)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC=C |r|
Show InChI InChI=1S/C21H34N2O6/c1-8-10-28-21(27)16(12(5)6)23-18(24)15(11(3)4)22-19(25)17-14(13(7)9-2)20(26)29-17/h8,11-17H,1,9-10H2,2-7H3,(H,22,25)(H,23,24)/t13-,14-,15-,16-,17+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(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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PubMed
n/an/a 9.60n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470558
PNG
(CHEMBL4283227)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C26H38N2O6/c1-8-16(4)18-20(34-24(18)31)23(30)27-19(15(2)3)22(29)28-21(26(5,6)7)25(32)33-14-17-12-10-9-11-13-17/h9-13,15-16,18-21H,8,14H2,1-7H3,(H,27,30)(H,28,29)/t16-,18-,19-,20+,21+/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470560
PNG
(CHEMBL4276815)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H38N2O7/c1-8-16(6)19-22(35-25(19)31)24(30)27-20(14(2)3)23(29)28-21(15(4)5)26(32)34-13-17-9-11-18(33-7)12-10-17/h9-12,14-16,19-22H,8,13H2,1-7H3,(H,27,30)(H,28,29)/t16-,19-,20-,21-,22+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470541
PNG
(CHEMBL4280626)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H36N2O6/c1-3-22(2)28-29(41-33(28)39)31(37)34-26(19-23-13-7-4-8-14-23)30(36)35-27(20-24-15-9-5-10-16-24)32(38)40-21-25-17-11-6-12-18-25/h4-18,22,26-29H,3,19-21H2,1-2H3,(H,34,37)(H,35,36)/t22-,26-,27-,28-,29+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470551
PNG
(CHEMBL4280675)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C1CCCC1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O6/c1-15(2)20(27-24(30)22-19(25(31)34-22)18-12-8-9-13-18)23(29)28-21(16(3)4)26(32)33-14-17-10-6-5-7-11-17/h5-7,10-11,15-16,18-22H,8-9,12-14H2,1-4H3,(H,27,30)(H,28,29)/t19-,20-,21-,22+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470550
PNG
(CHEMBL4288920)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C1CCC1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O6/c1-14(2)19(26-23(29)21-18(24(30)33-21)17-11-8-12-17)22(28)27-20(15(3)4)25(31)32-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-21H,8,11-13H2,1-4H3,(H,26,29)(H,27,28)/t18-,19-,20-,21+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470548
PNG
(CHEMBL4292745)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C19H32N2O6/c1-8-11(6)12-15(27-18(12)24)17(23)20-13(9(2)3)16(22)21-14(10(4)5)19(25)26-7/h9-15H,8H2,1-7H3,(H,20,23)(H,21,22)/t11-,12-,13-,14-,15+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470545
PNG
(CHEMBL4289394)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC1CCCCC1 |r|
Show InChI InChI=1S/C25H42N2O6/c1-7-16(6)18-21(33-24(18)30)23(29)26-19(14(2)3)22(28)27-20(15(4)5)25(31)32-13-17-11-9-8-10-12-17/h14-21H,7-13H2,1-6H3,(H,26,29)(H,27,28)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50470539
PNG
(CHEMBL4293877)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6/c1-7-16(6)18-21(33-24(18)30)23(29)26-19(14(2)3)22(28)27-20(15(4)5)25(31)32-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,28)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470538
PNG
(CHEMBL4294463)
Show SMILES CC(C)C[C@H]1[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6/c1-14(2)12-18-21(33-24(18)30)23(29)26-19(15(3)4)22(28)27-20(16(5)6)25(31)32-13-17-10-8-7-9-11-17/h7-11,14-16,18-21H,12-13H2,1-6H3,(H,26,29)(H,27,28)/t18-,19-,20-,21+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470554
PNG
(CHEMBL4278670)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C26H38N2O6/c1-8-16(4)18-20(34-24(18)31)22(29)28-21(26(5,6)7)23(30)27-19(15(2)3)25(32)33-14-17-12-10-9-11-13-17/h9-13,15-16,18-21H,8,14H2,1-7H3,(H,27,30)(H,28,29)/t16-,18-,19-,20+,21+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
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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n/an/a 33n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470542
PNG
(CHEMBL4293806)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H40N2O6/c1-9-16(2)18-19(35-24(18)32)22(30)28-20(26(3,4)5)23(31)29-21(27(6,7)8)25(33)34-15-17-13-11-10-12-14-17/h10-14,16,18-21H,9,15H2,1-8H3,(H,28,30)(H,29,31)/t16-,18-,19+,20+,21+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50470559
PNG
(CHEMBL4285979)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC=C |r|
Show InChI InChI=1S/C21H34N2O6/c1-8-10-28-21(27)16(12(5)6)23-18(24)15(11(3)4)22-19(25)17-14(13(7)9-2)20(26)29-17/h8,11-17H,1,9-10H2,2-7H3,(H,22,25)(H,23,24)/t13-,14-,15-,16-,17+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50470543
PNG
(CHEMBL4286154)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H34N2O6/c1-13(2)17-20(32-23(17)29)22(28)25-18(14(3)4)21(27)26-19(15(5)6)24(30)31-12-16-10-8-7-9-11-16/h7-11,13-15,17-20H,12H2,1-6H3,(H,25,28)(H,26,27)/t17-,18-,19-,20+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(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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n/an/a 203n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50145077
PNG
(CHEMBL3764535)
Show SMILES O=C(c1[nH]c2[nH]c(CCCC#C)nc(=O)c2c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h1,4-5,7-14H,3,6,15H2,(H2,25,26,27,29)
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n/an/a 250n/an/an/an/an/an/a



Texas State University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis


J Med Chem 59: 480-5 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01426
BindingDB Entry DOI: 10.7270/Q2PV6N7Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470540
PNG
(CHEMBL4282642)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H30N2O6/c1-5-14(4)17-19(30-21(17)27)20(26)23-11-16(25)24-18(13(2)3)22(28)29-12-15-9-7-6-8-10-15/h6-10,13-14,17-19H,5,11-12H2,1-4H3,(H,23,26)(H,24,25)/t14-,17-,18-,19+/m0/s1
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n/an/a 261n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 650n/an/an/an/an/an/a



Texas State University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis


J Med Chem 59: 480-5 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01426
BindingDB Entry DOI: 10.7270/Q2PV6N7Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50470544
PNG
(CHEMBL4282765)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C17H28N2O6/c1-7(2)10-13(25-17(10)24)15(21)18-11(8(3)4)14(20)19-12(9(5)6)16(22)23/h7-13H,1-6H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13+/m0/s1
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n/an/a 681n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured ...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470556
PNG
(CHEMBL4282576)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H38N2O7/c1-5-20(4)24-26(39-29(24)35)28(34)31-23(18-37-16-21-12-8-6-9-13-21)27(33)32-25(19(2)3)30(36)38-17-22-14-10-7-11-15-22/h6-15,19-20,23-26H,5,16-18H2,1-4H3,(H,31,34)(H,32,33)/t20-,23-,24-,25-,26+/m0/s1
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n/an/a 759n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
BDBM50470559
PNG
(CHEMBL4285979)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC=C |r|
Show InChI InChI=1S/C21H34N2O6/c1-8-10-28-21(27)16(12(5)6)23-18(24)15(11(3)4)22-19(25)17-14(13(7)9-2)20(26)29-17/h8,11-17H,1,9-10H2,2-7H3,(H,22,25)(H,23,24)/t13-,14-,15-,16-,17+/m0/s1
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n/an/a 779n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta1 subunit using fluorescent substrate pretreated for 30 mins followed by substrate addition and measured after...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50470544
PNG
(CHEMBL4282765)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C17H28N2O6/c1-7(2)10-13(25-17(10)24)15(21)18-11(8(3)4)14(20)19-12(9(5)6)16(22)23/h7-13H,1-6H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate a...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
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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n/an/a>1.00E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta1 subunit using fluorescent substrate pretreated for 30 mins followed by substrate addition and measured after...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
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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n/an/a>1.00E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta2 subunit using SUC-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured af...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
BDBM50470536
PNG
(CHEMBL4292798)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H37N3O5/c1-7-16(6)18-21(33-25(18)32)24(31)28-20(15(4)5)23(30)27-19(14(2)3)22(29)26-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,30)(H,28,31)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta1 subunit using fluorescent substrate pretreated for 30 mins followed by substrate addition and measured after...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470539
PNG
(CHEMBL4293877)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6/c1-7-16(6)18-21(33-24(18)30)23(29)26-19(14(2)3)22(28)27-20(15(4)5)25(31)32-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,28)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470561
PNG
(CHEMBL4292698)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H38N2O6/c1-7-17(6)20-22(34-26(20)32)24(30)28-21(16(4)5)23(29)27-19(13-15(2)3)25(31)33-14-18-11-9-8-10-12-18/h8-12,15-17,19-22H,7,13-14H2,1-6H3,(H,27,29)(H,28,30)/t17-,19-,20-,21-,22+/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470557
PNG
(CHEMBL4290778)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H38N2O7/c1-5-20(4)24-26(39-30(24)36)28(34)32-25(19(2)3)27(33)31-23(18-37-16-21-12-8-6-9-13-21)29(35)38-17-22-14-10-7-11-15-22/h6-15,19-20,23-26H,5,16-18H2,1-4H3,(H,31,33)(H,32,34)/t20-,23-,24-,25-,26+/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470553
PNG
(CHEMBL4282369)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N2O6/c1-5-19(4)23-25(37-29(23)35)27(33)31-24(18(2)3)26(32)30-22(16-20-12-8-6-9-13-20)28(34)36-17-21-14-10-7-11-15-21/h6-15,18-19,22-25H,5,16-17H2,1-4H3,(H,30,32)(H,31,33)/t19-,22-,23-,24-,25+/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
BDBM50470539
PNG
(CHEMBL4293877)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6/c1-7-16(6)18-21(33-24(18)30)23(29)26-19(14(2)3)22(28)27-20(15(4)5)25(31)32-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,28)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta1 subunit using fluorescent substrate pretreated for 30 mins followed by substrate addition and measured after...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470541
PNG
(CHEMBL4280626)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H36N2O6/c1-3-22(2)28-29(41-33(28)39)31(37)34-26(19-23-13-7-4-8-14-23)30(36)35-27(20-24-15-9-5-10-16-24)32(38)40-21-25-17-11-6-12-18-25/h4-18,22,26-29H,3,19-21H2,1-2H3,(H,34,37)(H,35,36)/t22-,26-,27-,28-,29+/m0/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)
BDBM50470536
PNG
(CHEMBL4292798)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H37N3O5/c1-7-16(6)18-21(33-25(18)32)24(31)28-20(15(4)5)23(30)27-19(14(2)3)22(29)26-13-17-11-9-8-10-12-17/h8-12,14-16,18-21H,7,13H2,1-6H3,(H,26,29)(H,27,30)(H,28,31)/t16-,18-,19-,20-,21+/m0/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast 20S proteasome beta2 subunit using SUC-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured af...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470555
PNG
(CHEMBL4293394)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H38N2O6/c1-7-17(6)20-22(34-25(20)31)24(30)27-19(13-15(2)3)23(29)28-21(16(4)5)26(32)33-14-18-11-9-8-10-12-18/h8-12,15-17,19-22H,7,13-14H2,1-6H3,(H,27,30)(H,28,29)/t17-,19-,20-,21-,22+/m0/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50470549
PNG
(CHEMBL4286462)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C1CC1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O6/c1-13(2)18(25-22(28)20-17(16-10-11-16)23(29)32-20)21(27)26-19(14(3)4)24(30)31-12-15-8-6-5-7-9-15/h5-9,13-14,16-20H,10-12H2,1-4H3,(H,25,28)(H,26,27)/t17-,18-,19-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.19E+3n/an/an/an/an/an/a



New Mexico Institute of Mining and Technology

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate ad...


Eur J Med Chem 157: 962-977 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.052
BindingDB Entry DOI: 10.7270/Q2028V7T
More data for this
Ligand-Target Pair
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