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Compile Data Set for Download or QSAR

Found 235 hits of ic50 data for polymerid = 50004217,50007198   
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
26S proteosome


(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
Show InChI InChI=1/C37H44N4O7/c1-25(38-33(42)23-41-17-19-47-20-18-41)35(44)40-32(22-27-11-15-30(46-3)16-12-27)36(45)39-31(34(43)37(2)24-48-37)21-26-9-13-29(14-10-26)28-7-5-4-6-8-28/h4-16,25,31-32H,17-24H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,31+,32+,37-/s2
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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
26S proteosome


(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
Show InChI InChI=1/C42H43N3O6/c1-26-34-13-9-8-12-32(34)24-35(26)40(48)43-27(2)39(47)45-37(23-29-16-20-33(50-4)21-17-29)41(49)44-36(38(46)42(3)25-51-42)22-28-14-18-31(19-15-28)30-10-6-5-7-11-30/h5-21,27,36-37H,22-25H2,1-4H3,(H,43,48)(H,44,49)(H,45,47)/t27-,36-,37-,42+/s2
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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
26S proteosome


(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
Show InChI InChI=1/C37H44N4O7/c1-25(38-33(42)23-41-17-19-47-20-18-41)35(44)40-32(22-27-11-15-30(46-3)16-12-27)36(45)39-31(34(43)37(2)24-48-37)21-26-9-13-29(14-10-26)28-7-5-4-6-8-28/h4-16,25,31-32H,17-24H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,31-,32-,37+/s2
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n/an/a 2n/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
26S proteosome


(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
Show InChI InChI=1/C38H43N5O6/c1-25(40-34(44)23-43-16-18-48-19-17-43)36(46)42-33(21-29-22-39-31-11-7-6-10-30(29)31)37(47)41-32(35(45)38(2)24-49-38)20-26-12-14-28(15-13-26)27-8-4-3-5-9-27/h3-15,22,25,32-33,39H,16-21,23-24H2,1-2H3,(H,40,44)(H,41,47)(H,42,46)/t25-,32+,33+,38-/s2
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n/an/a 2.10n/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
26S proteosome


(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 2.5n/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
26S proteosome


(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
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 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-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
26S proteosome


(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
Show InChI InChI=1/C36H39N3O6/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/h5-17,23,30-31H,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 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-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
26S proteosome


(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
Show InChI InChI=1/C35H42N4O7/c1-23(36-31(40)21-39-14-16-45-17-15-39)33(42)38-30(19-24-9-12-28(44-3)13-10-24)34(43)37-29(32(41)35(2)22-46-35)20-25-8-11-26-6-4-5-7-27(26)18-25/h4-13,18,23,29-30H,14-17,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,29-,30-,35+/s2
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n/an/a 3.10n/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
26S proteosome


(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
Show InChI InChI=1/C42H43N3O6/c1-26-34-13-9-8-12-32(34)24-35(26)40(48)43-27(2)39(47)45-37(23-29-16-20-33(50-4)21-17-29)41(49)44-36(38(46)42(3)25-51-42)22-28-14-18-31(19-15-28)30-10-6-5-7-11-30/h5-21,27,36-37H,22-25H2,1-4H3,(H,43,48)(H,44,49)(H,45,47)/t27-,36+,37+,42-/s2
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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
26S proteosome


(Homo sapiens (Human))
BDBM50099683
PNG
(CHEMBL3319484)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C43H42N4O5/c1-26-33-14-8-7-13-31(33)22-35(26)41(50)45-27(2)40(49)47-38(23-32-24-44-36-16-10-9-15-34(32)36)42(51)46-37(39(48)43(3)25-52-43)21-28-17-19-30(20-18-28)29-11-5-4-6-12-29/h4-20,24,27,37-38,44H,21-23,25H2,1-3H3,(H,45,50)(H,46,51)(H,47,49)/t27-,37+,38+,43-/s2
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n/an/a 5n/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
26S proteosome


(Homo sapiens (Human))
BDBM50277781
PNG
((2S)-2-[(2S)-2-[(5-ethoxy-1,2-oxazol-3-yl)formamid...)
Show SMILES CCOc1cc(no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C26H34N4O9/c1-5-37-21-12-18(30-39-21)23(32)28-20(14-36-4)25(34)29-19(13-35-3)24(33)27-17(22(31)26(2)15-38-26)11-16-9-7-6-8-10-16/h6-10,12,17,19-20H,5,11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,26+/s2
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n/an/a 5n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50099687
PNG
(CHEMBL3319580)
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/C36H39N3O6/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/h5-17,23,30-31H,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 5n/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
26S proteosome


(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 5.70n/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
26S proteosome


(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 6.60n/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
26S proteosome


(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
Show InChI InChI=1/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-/s2
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n/an/a 8.10n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(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 8.30n/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
26S proteosome


(Homo sapiens (Human))
BDBM50470557
PNG
(CHEMBL4290778)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50464962
PNG
(CHEMBL4290574)
Show SMILES CC(O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H36N4O7/c1-23(41)31(40-32(42)26-16-18-27(19-17-26)47-22-25-12-6-3-7-13-25)34(44)38-30(33(43)37-21-24-10-4-2-5-11-24)20-36(46)28-14-8-9-15-29(28)39-35(36)45/h2-19,23,30-31,41,46H,20-22H2,1H3,(H,37,43)(H,38,44)(H,39,45)(H,40,42)/t23?,30-,31+,36+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-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
26S proteosome


(Homo sapiens (Human))
BDBM50398607
PNG
(ONX 0912 | OPROZOMIB)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/s2
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n/an/a 10n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Irreversible inhibition of inducible 20S proteasome subinit beta5i chymotrypsin-like activity in human WM cells using suc-LLVY-amc as substrate after...


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
26S proteosome


(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 11n/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
26S proteosome


(Homo sapiens (Human))
BDBM50099827
PNG
(CHEMBL3319582)
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/C32H39N5O6/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/h3-11,18,21,26-27,33H,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 13n/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
26S proteosome


(Homo sapiens (Human))
BDBM50099828
PNG
(CHEMBL3319583)
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 14n/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


(Mus musculus)
BDBM50201035
PNG
(CHEMBL3907636)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1/C38H53BN6O6/c1-6-25(2)33(44-34(46)29(19-13-14-20-41-45-40)42-36(48)49-24-27-17-11-8-12-18-27)35(47)43-32(21-26-15-9-7-10-16-26)39-50-31-23-28-22-30(37(28,3)4)38(31,5)51-39/h7-12,15-18,25,28-33H,6,13-14,19-24H2,1-5H3,(H,42,48)(H,43,47)(H,44,46)/t25-,28-,29-,30-,31+,32-,33-,38-/s2
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n/an/a 14n/an/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15...


ACS Med Chem Lett 7: 1039-1043 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019
More data for this
Ligand-Target Pair
26S proteosome


(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
Show InChI InChI=1/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+/s2
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n/an/a 14n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Mus musculus)
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
Show InChI InChI=1/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-/s2
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n/an/a 17n/an/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15...


ACS Med Chem Lett 7: 1039-1043 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
26S proteosome


(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 18n/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 RPMI8226 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
26S proteosome


(Homo sapiens (Human))
BDBM50470539
PNG
(CHEMBL4293877)
Show SMILES CC[C@H](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
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)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50277779
PNG
(CHEMBL484003 | N-((S)-3-methoxy-1-((S)-3-methoxy-1...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H32N4O8/c1-15-10-18(29-37-15)22(31)27-20(13-35-4)24(33)28-19(12-34-3)23(32)26-17(21(30)25(2)14-36-25)11-16-8-6-5-7-9-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,32)(H,27,31)(H,28,33)/t17-,19-,20-,25+/s2
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n/an/a 21n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50277815
PNG
(3-methoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C22H34N4O9/c1-12(2)7-13(18(27)22(3)11-34-22)23-19(28)14(9-31-4)24-20(29)15(10-32-5)25-21(30)16-8-17(33-6)26-35-16/h8,12-15H,7,9-11H2,1-6H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-,22+/s2
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n/an/a 22n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(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 25n/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 RPMI8226 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
26S proteosome


(Homo sapiens (Human))
BDBM50007199
PNG
(CHEMBL3237863)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)22-37(46)42-18-17-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/s2
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n/an/a 31n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
26S proteosome


(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 32n/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
26S proteosome


(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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50277816
PNG
(3-methoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H32N4O9/c1-25(14-37-25)21(30)16(10-15-8-6-5-7-9-15)26-22(31)17(12-34-2)27-23(32)18(13-35-3)28-24(33)19-11-20(36-4)29-38-19/h5-9,11,16-18H,10,12-14H2,1-4H3,(H,26,31)(H,27,32)(H,28,33)/t16-,17-,18-,25+/s2
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n/an/a 36n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(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 36n/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
26S proteosome


(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 39n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 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
26S proteosome


(Homo sapiens (Human))
BDBM50470559
PNG
(CHEMBL4285979)
Show SMILES CC[C@H](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)OCC=C
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)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50277780
PNG
(5-ethoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)-...)
Show SMILES CCOc1cc(no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C23H36N4O9/c1-7-34-18-9-15(27-36-18)20(29)25-17(11-33-6)22(31)26-16(10-32-5)21(30)24-14(8-13(2)3)19(28)23(4)12-35-23/h9,13-14,16-17H,7-8,10-12H2,1-6H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16-,17-,23+/s2
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n/an/a 41n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA


J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
26S proteosome


(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 44n/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 RPMI8226 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
26S proteosome


(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
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)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388382
PNG
(US10294246, Compound No. 79)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)[C@H](CO)c3ccccc3)B(O)O)coc12
Show InChI InChI=1S/C20H22BNO5/c1-13-6-5-9-16-15(12-27-19(13)16)10-18(21(25)26)22-20(24)17(11-23)14-7-3-2-4-8-14/h2-9,12,17-18,23,25-26H,10-11H2,1H3,(H,22,24)/t17-,18+/m1/s1
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n/an/a<50n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388385
PNG
(US10294246, Compound No. 82)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2coc3c(C)cccc23)B(O)O)cc1
Show InChI InChI=1S/C20H22BNO5/c1-13-4-3-5-17-15(12-27-20(13)17)11-18(21(24)25)22-19(23)10-14-6-8-16(26-2)9-7-14/h3-9,12,18,24-25H,10-11H2,1-2H3,(H,22,23)/t18-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388386
PNG
(US10294246, Compound No. 83)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)[C@@H](CO)c3ccccc3)B(O)O)coc12
Show InChI InChI=1S/C20H22BNO5/c1-13-6-5-9-16-15(12-27-19(13)16)10-18(21(25)26)22-20(24)17(11-23)14-7-3-2-4-8-14/h2-9,12,17-18,23,25-26H,10-11H2,1H3,(H,22,24)/t17-,18-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388388
PNG
(US10294246, Compound No. 85)
Show SMILES OB(O)[C@H](Cc1coc2c(Cl)cccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H17BClNO4/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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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388389
PNG
(US10294246, Compound No. 86)
Show SMILES COc1ccc(CCC(=O)N[C@@H](CC2COc3c2cccc3C)B(O)O)nc1
Show InChI InChI=1S/C20H25BN2O5/c1-13-4-3-5-17-14(12-28-20(13)17)10-18(21(25)26)23-19(24)9-7-15-6-8-16(27-2)11-22-15/h3-6,8,11,14,18,25-26H,7,9-10,12H2,1-2H3,(H,23,24)/t14?,18-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388392
PNG
(US10294246, Compound No. 89)
Show SMILES COc1ccc(CC(=O)N[C@@H](C[C@@H]2COc3c2cccc3C)B(O)O)cc1
Show InChI InChI=1S/C20H24BNO5/c1-13-4-3-5-17-15(12-27-20(13)17)11-18(21(24)25)22-19(23)10-14-6-8-16(26-2)9-7-14/h3-9,15,18,24-25H,10-12H2,1-2H3,(H,22,23)/t15-,18+/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388393
PNG
(US10294246, Compound No. 90)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1C#N
Show InChI InChI=1S/C19H17BN2O4/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/h1-8,12,18,24-25H,9-10H2,(H,22,23)/t18-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388394
PNG
(US10294246, Compound No. 91)
Show SMILES CC(C)(O)c1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C21H24BNO5/c1-21(2,25)16-9-7-14(8-10-16)11-20(24)23-19(22(26)27)12-15-13-28-18-6-4-3-5-17(15)18/h3-10,13,19,25-27H,11-12H2,1-2H3,(H,23,24)/t19-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388395
PNG
(US10294246, Compound No. 92)
Show SMILES COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
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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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388396
PNG
(US10294246, Compound No. 93)
Show SMILES CO[C@@H](C(=O)N[C@@H](CC1COc2c1cccc2C)B(O)O)c1ccccc1
Show InChI InChI=1S/C20H24BNO5/c1-13-7-6-10-16-15(12-27-18(13)16)11-17(21(24)25)22-20(23)19(26-2)14-8-4-3-5-9-14/h3-10,15,17,19,24-25H,11-12H2,1-2H3,(H,22,23)/t15?,17-,19+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
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