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Compile Data Set for Download or QSAR

Found 59 hits of ic50 data for polymerid = 50006554   
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))
BDBM50099945
PNG
(CHEMBL3319599)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H40FN7O6/c1-6-7-8-17(22(36)31-18(9-14(2)3)21(35)25(5)13-39-25)30-23(37)19-10-16(26)12-33(19)24(38)15(4)29-20(34)11-28-32-27/h14-19H,6-13H2,1-5H3,(H,29,34)(H,30,37)(H,31,36)/t15-,16+,17-,18-,19-,25+/s2
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n/an/a 22n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099949
PNG
(CHEMBL3319600)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H39F2N7O6/c1-6-7-8-16(21(37)32-17(9-14(2)3)20(36)24(5)13-40-24)31-22(38)18-10-25(26,27)12-34(18)23(39)15(4)30-19(35)11-29-33-28/h14-18H,6-13H2,1-5H3,(H,30,35)(H,31,38)(H,32,37)/t15-,16-,17-,18-,24+/s2
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n/an/a 34n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099952
PNG
(CHEMBL3319603)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C28H37F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h6-10,17,19-21H,4-5,11-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/s2
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n/an/a 42n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099956
PNG
(CHEMBL3319593)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H41N7O6/c1-6-7-9-17(22(35)30-18(12-15(2)3)21(34)25(5)14-38-25)29-23(36)19-10-8-11-32(19)24(37)16(4)28-20(33)13-27-31-26/h15-19H,6-14H2,1-5H3,(H,28,33)(H,29,36)(H,30,35)/t16-,17-,18-,19-,25+/s2
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n/an/a 45n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-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
Show InChI InChI=1/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+/s2
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n/an/a 51n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
BindingDB Entry DOI: 10.7270/Q28W3GKM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099950
PNG
(CHEMBL3319601)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C28H39N7O6/c1-4-5-12-20(25(38)33-21(24(37)28(3)17-41-28)15-19-10-7-6-8-11-19)32-26(39)22-13-9-14-35(22)27(40)18(2)31-23(36)16-30-34-29/h6-8,10-11,18,20-22H,4-5,9,12-17H2,1-3H3,(H,31,36)(H,32,39)(H,33,38)/t18-,20-,21-,22-,28+/s2
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n/an/a 66n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099840
PNG
(CHEMBL3319597)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C26H43N7O6/c1-6-7-10-18(23(36)31-19(13-16(2)3)22(35)26(5)15-39-26)30-24(37)20-11-8-9-12-33(20)25(38)17(4)29-21(34)14-28-32-27/h16-20H,6-15H2,1-5H3,(H,29,34)(H,30,37)(H,31,36)/t17-,18-,19-,20-,26+/s2
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n/an/a 67n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099838
PNG
(CHEMBL3319595)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C24H39N7O6S/c1-6-7-8-16(21(34)29-17(9-14(2)3)20(33)24(5)12-37-24)28-22(35)18-11-38-13-31(18)23(36)15(4)27-19(32)10-26-30-25/h14-18H,6-13H2,1-5H3,(H,27,32)(H,28,35)(H,29,34)/t15-,16-,17-,18-,24+/s2
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n/an/a 68n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099951
PNG
(CHEMBL3319602)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C28H45N7O6/c1-4-5-12-20(25(38)33-21(24(37)28(3)17-41-28)15-19-10-7-6-8-11-19)32-26(39)22-13-9-14-35(22)27(40)18(2)31-23(36)16-30-34-29/h18-22H,4-17H2,1-3H3,(H,31,36)(H,32,39)(H,33,38)/t18-,20-,21-,22-,28+/s2
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n/an/a 87n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099953
PNG
(CHEMBL3319604)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C28H43F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h17-21H,4-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/s2
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n/an/a 95n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099839
PNG
(CHEMBL3319596)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C24H39N7O6/c1-6-7-8-16(21(34)29-17(11-14(2)3)20(33)24(5)13-37-24)28-22(35)18-9-10-31(18)23(36)15(4)27-19(32)12-26-30-25/h14-18H,6-13H2,1-5H3,(H,27,32)(H,28,35)(H,29,34)/t15-,16-,17-,18-,24+/s2
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n/an/a 96n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099954
PNG
(CHEMBL3319605)
Show SMILES CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1
Show InChI InChI=1/C25H48N2O5Si/c1-10-11-12-13-14-21(28)26-19(4)23(30)27-20(15-18(2)3)22(29)25(16-31-25)17-32-33(8,9)24(5,6)7/h18-20H,10-17H2,1-9H3,(H,26,28)(H,27,30)/t19-,20-,25-/s2
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n/an/a 104n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50232676
PNG
(CHEMBL4101256)
Show SMILES C[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C21H23N3O5/c1-13(22-20(28)15-9-6-10-17(25)23-15)19(27)24-16(18(26)21(2)12-29-21)11-14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,27)/t13-,16-,21+/s2
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n/an/a 112n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
BindingDB Entry DOI: 10.7270/Q28W3GKM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099953
PNG
(CHEMBL3319604)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C28H43F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h17-21H,4-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/s2
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n/an/a 130n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50099956
PNG
(CHEMBL3319593)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H41N7O6/c1-6-7-9-17(22(35)30-18(12-15(2)3)21(34)25(5)14-38-25)29-23(36)19-10-8-11-32(19)24(37)16(4)28-20(33)13-27-31-26/h15-19H,6-14H2,1-5H3,(H,28,33)(H,29,36)(H,30,35)/t16-,17-,18-,19-,25+/s2
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n/an/a 140n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50232677
PNG
(CHEMBL4074528)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cccc(=O)[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1/C28H29N3O6/c1-28(17-37-28)25(33)22(15-18-7-4-3-5-8-18)30-27(35)23(16-19-11-13-20(36-2)14-12-19)31-26(34)21-9-6-10-24(32)29-21/h3-14,22-23H,15-17H2,1-2H3,(H,29,32)(H,30,35)(H,31,34)/t22-,23-,28+/s2
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n/an/a 140n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
BindingDB Entry DOI: 10.7270/Q28W3GKM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099837
PNG
(CHEMBL3319594)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H41N7O7/c1-6-7-8-17(22(36)30-18(9-14(2)3)21(35)25(5)13-39-25)29-23(37)19-10-16(33)12-32(19)24(38)15(4)28-20(34)11-27-31-26/h14-19,33H,6-13H2,1-5H3,(H,28,34)(H,29,37)(H,30,36)/t15-,16+,17-,18-,19-,25+/s2
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n/an/a 170n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099841
PNG
(CHEMBL3319598)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H40FN7O6/c1-6-7-8-17(22(36)31-18(9-14(2)3)21(35)25(5)13-39-25)30-23(37)19-10-16(26)12-33(19)24(38)15(4)29-20(34)11-28-32-27/h14-19H,6-13H2,1-5H3,(H,29,34)(H,30,37)(H,31,36)/t15-,16-,17-,18-,19-,25+/s2
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n/an/a 220n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-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
Show InChI InChI=1/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+/s2
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n/an/a 290n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
BindingDB Entry DOI: 10.7270/Q28W3GKM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099662
PNG
(CHEMBL3319481)
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
Show InChI InChI=1/C31H46N4O7/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/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/s2
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n/an/a 300n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-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
Show InChI InChI=1/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+/s2
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n/an/a 340n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50099662
PNG
(CHEMBL3319481)
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
Show InChI InChI=1/C31H46N4O7/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/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/s2
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n/an/a 370n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-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
Show InChI InChI=1/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+/s2
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n/an/a 460n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-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
Show InChI InChI=1/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+/s2
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n/an/a 590n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(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
Show InChI InChI=1/C37H38N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h4-16,20,23,31-32,38H,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31+,32+,37-/s2
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n/an/a 1.84E+3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50464961
PNG
(CHEMBL4287879)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C46H49N5O8/c1-29(48-42(54)38(51-44(56)59-45(2,3)4)25-30-21-23-34(24-22-30)58-28-31-13-6-5-7-14-31)40(52)49-39(26-46(57)36-19-10-11-20-37(36)50-43(46)55)41(53)47-27-33-17-12-16-32-15-8-9-18-35(32)33/h5-24,29,38-39,57H,25-28H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H,51,56)/t29-,38-,39-,46+/m0/s1
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n/an/a 2.77E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464970
PNG
(CHEMBL4281477)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCCC1CCCCC1
Show InChI InChI=1S/C43H55N5O8/c1-28(45-39(51)35(48-41(53)56-42(2,3)4)25-30-19-21-32(22-20-30)55-27-31-15-9-6-10-16-31)37(49)46-36(38(50)44-24-23-29-13-7-5-8-14-29)26-43(54)33-17-11-12-18-34(33)47-40(43)52/h6,9-12,15-22,28-29,35-36,54H,5,7-8,13-14,23-27H2,1-4H3,(H,44,50)(H,45,51)(H,46,49)(H,47,52)(H,48,53)/t28-,35-,36-,43+/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(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
Show InChI InChI=1/C37H38N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h4-16,20,23,31-32,38H,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31+,32+,37-/s2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50464958
PNG
(CHEMBL4279971)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C48H51N5O8/c1-31(49-43(55)39(52-46(58)61-47(2,3)4)28-32-24-26-36(27-25-32)60-30-33-16-8-5-9-17-33)42(54)50-40(29-48(59)37-22-14-15-23-38(37)51-45(48)57)44(56)53-41(34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-27,31,39-41,59H,28-30H2,1-4H3,(H,49,55)(H,50,54)(H,51,57)(H,52,58)(H,53,56)/t31-,39-,40-,48+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464963
PNG
(CHEMBL4292640)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,40+/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464960
PNG
(CHEMBL4278967)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C42H53N5O8/c1-27(36(48)45-35(37(49)43-25-29-13-7-5-8-14-29)24-42(53)32-17-11-12-18-33(32)46-39(42)51)44-38(50)34(47-40(52)55-41(2,3)4)23-28-19-21-31(22-20-28)54-26-30-15-9-6-10-16-30/h6,9-12,15-22,27,29,34-35,53H,5,7-8,13-14,23-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,47,52)/t27-,34-,35-,42+/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464974
PNG
(CHEMBL4282422)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C46H57N5O8/c1-27(48-42(54)38(51-44(56)59-45(2,3)4)23-28-14-16-34(17-15-28)58-26-29-10-6-5-7-11-29)40(52)49-39(24-46(57)36-12-8-9-13-37(36)50-43(46)55)41(53)47-25-35-32-19-30-18-31(21-32)22-33(35)20-30/h5-17,27,30-33,35,38-39,57H,18-26H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H,51,56)/t27-,30?,31?,32?,33?,35?,38-,39-,46+/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099688
PNG
(CHEMBL3319581)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C32H45N5O6/c1-21(34-28(38)19-37-12-14-42-15-13-37)30(40)36-27(17-23-18-33-25-11-7-6-10-24(23)25)31(41)35-26(29(39)32(2)20-43-32)16-22-8-4-3-5-9-22/h6-7,10-11,18,21-22,26-27,33H,3-5,8-9,12-17,19-20H2,1-2H3,(H,34,38)(H,35,41)(H,36,40)/t21-,26+,27+,32-/s2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50099664
PNG
(CHEMBL3319483)
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
Show InChI InChI=1/C37H44N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h7-10,13-16,20,23-24,31-32,38H,4-6,11-12,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31+,32+,37-/s2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099684
PNG
(CHEMBL3319577)
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
Show InChI InChI=1/C31H46N4O7/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/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25+,26+,31-/s2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50464980
PNG
(CHEMBL4289358)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C43H49N5O8/c1-28(45-39(51)35(48-41(53)56-42(2,3)4)25-30-19-21-32(22-20-30)55-27-31-15-9-6-10-16-31)37(49)46-36(38(50)44-24-23-29-13-7-5-8-14-29)26-43(54)33-17-11-12-18-34(33)47-40(43)52/h5-22,28,35-36,54H,23-27H2,1-4H3,(H,44,50)(H,45,51)(H,46,49)(H,47,52)(H,48,53)/t28-,35-,36-,43+/m0/s1
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n/an/a 7.31E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464965
PNG
(CHEMBL4294116)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49N5O9/c1-27(49)36(39(52)45-35(37(50)44-25-29-13-7-5-8-14-29)24-43(55)32-17-11-12-18-33(32)46-40(43)53)48-38(51)34(47-41(54)57-42(2,3)4)23-28-19-21-31(22-20-28)56-26-30-15-9-6-10-16-30/h5-22,27,34-36,49,55H,23-26H2,1-4H3,(H,44,50)(H,45,52)(H,46,53)(H,47,54)(H,48,51)/t27?,34-,35-,36+,43+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464979
PNG
(CHEMBL4290026)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@]1(O)C(=O)N(C)c2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49N5O8/c1-28(45-39(51)34(47-41(53)56-42(2,3)4)24-29-20-22-32(23-21-29)55-27-31-16-10-7-11-17-31)37(49)46-35(38(50)44-26-30-14-8-6-9-15-30)25-43(54)33-18-12-13-19-36(33)48(5)40(43)52/h6-23,28,34-35,54H,24-27H2,1-5H3,(H,44,50)(H,45,51)(H,46,49)(H,47,53)/t28-,34-,35-,43-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099684
PNG
(CHEMBL3319577)
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
Show InChI InChI=1/C31H46N4O7/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/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25+,26+,31-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099686
PNG
(CHEMBL3319579)
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
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50099688
PNG
(CHEMBL3319581)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C32H45N5O6/c1-21(34-28(38)19-37-12-14-42-15-13-37)30(40)36-27(17-23-18-33-25-11-7-6-10-24(23)25)31(41)35-26(29(39)32(2)20-43-32)16-22-8-4-3-5-9-22/h6-7,10-11,18,21-22,26-27,33H,3-5,8-9,12-17,19-20H2,1-2H3,(H,34,38)(H,35,41)(H,36,40)/t21-,26+,27+,32-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin 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-9


(Homo sapiens (Human))
BDBM50464967
PNG
(CHEMBL4285574)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)N(C)c2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49N5O8/c1-28(45-39(51)34(47-41(53)56-42(2,3)4)24-29-20-22-32(23-21-29)55-27-31-16-10-7-11-17-31)37(49)46-35(38(50)44-26-30-14-8-6-9-15-30)25-43(54)33-18-12-13-19-36(33)48(5)40(43)52/h6-23,28,34-35,54H,24-27H2,1-5H3,(H,44,50)(H,45,51)(H,46,49)(H,47,53)/t28-,34-,35-,43+/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464981
PNG
(CHEMBL4293405)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H47N5O8/c1-27(36(48)45-35(37(49)43-25-29-13-7-5-8-14-29)24-42(53)32-17-11-12-18-33(32)46-39(42)51)44-38(50)34(47-40(52)55-41(2,3)4)23-28-19-21-31(22-20-28)54-26-30-15-9-6-10-16-30/h5-22,27,34-35,53H,23-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,47,52)/t27-,34-,35-,42-/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464972
PNG
(CHEMBL4290295)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H47N5O8/c1-27(36(48)45-35(37(49)43-25-29-13-7-5-8-14-29)24-42(53)32-17-11-12-18-33(32)46-39(42)51)44-38(50)34(47-40(52)55-41(2,3)4)23-28-19-21-31(22-20-28)54-26-30-15-9-6-10-16-30/h5-22,27,34-35,53H,23-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,47,52)/t27-,34+,35+,42-/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464969
PNG
(CHEMBL4290714)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H45N5O8/c1-40(2,3)54-39(51)46-33(22-27-18-20-30(21-19-27)53-26-29-14-8-5-9-15-29)36(48)43-25-35(47)44-34(37(49)42-24-28-12-6-4-7-13-28)23-41(52)31-16-10-11-17-32(31)45-38(41)50/h4-21,33-34,52H,22-26H2,1-3H3,(H,42,49)(H,43,48)(H,44,47)(H,45,50)(H,46,51)/t33-,34-,41+/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464976
PNG
(CHEMBL4277652)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C48H51N5O8/c1-31(50-44(56)40(53-46(58)61-47(2,3)4)27-32-21-25-37(26-22-32)60-30-34-13-7-5-8-14-34)42(54)51-41(28-48(59)38-17-11-12-18-39(38)52-45(48)57)43(55)49-29-33-19-23-36(24-20-33)35-15-9-6-10-16-35/h5-26,31,40-41,59H,27-30H2,1-4H3,(H,49,55)(H,50,56)(H,51,54)(H,52,57)(H,53,58)/t31-,40-,41-,48+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464959
PNG
(CHEMBL4280336)
Show SMILES C[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C35H34N4O6/c1-23(37-31(40)20-25-13-10-16-27(19-25)45-26-14-6-3-7-15-26)32(41)38-30(33(42)36-22-24-11-4-2-5-12-24)21-35(44)28-17-8-9-18-29(28)39-34(35)43/h2-19,23,30,44H,20-22H2,1H3,(H,36,42)(H,37,40)(H,38,41)(H,39,43)/t23-,30-,35+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099664
PNG
(CHEMBL3319483)
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
Show InChI InChI=1/C37H44N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h7-10,13-16,20,23-24,31-32,38H,4-6,11-12,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31+,32+,37-/s2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 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-9


(Homo sapiens (Human))
BDBM50464973
PNG
(CHEMBL4280071)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H48N6O9/c1-42(2,3)58-41(55)49-33(22-27-18-20-30(21-19-27)57-26-29-14-8-5-9-15-29)38(52)46-34(23-36(44)50)39(53)47-35(37(51)45-25-28-12-6-4-7-13-28)24-43(56)31-16-10-11-17-32(31)48-40(43)54/h4-21,33-35,56H,22-26H2,1-3H3,(H2,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,49,55)/t33-,34-,35-,43+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50464971
PNG
(CHEMBL4286888)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C40H51N5O8/c1-25(33(46)43-32(34(47)41-24-38(2,3)4)22-40(51)29-15-11-12-16-30(29)44-36(40)49)42-35(48)31(45-37(50)53-39(5,6)7)21-26-17-19-28(20-18-26)52-23-27-13-9-8-10-14-27/h8-20,25,31-32,51H,21-24H2,1-7H3,(H,41,47)(H,42,48)(H,43,46)(H,44,49)(H,45,50)/t25-,31-,32-,40+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay


Eur J Med Chem 145: 570-587 (2018)

More data for this
Ligand-Target Pair
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