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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'dick' and Initial = 'lr'   
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))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 20S constitutive proteasome beta 5 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLA-AMC as substra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50069984
PNG
((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O
Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



ProScript, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 333-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RV0MVQ
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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320n/an/an/an/an/an/an/an/a



ProScript, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chymotrypsinogen


Bioorg Med Chem Lett 8: 333-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RV0MVQ
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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487n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 20S constitutive proteasome beta 2 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLR-AMC as substra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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630n/an/an/an/an/an/an/an/a



ProScript, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin G


Bioorg Med Chem Lett 8: 333-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RV0MVQ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



ProScript, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


Bioorg Med Chem Lett 8: 333-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RV0MVQ
More data for this
Ligand-Target Pair
Prothrombin


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



ProScript, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 8: 333-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RV0MVQ
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


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


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 1.40n/an/an/an/an/an/a


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


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


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


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


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1 [957-994]


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)


Article DOI: 10.1074/jbc.M111.279984
BindingDB Entry DOI: 10.7270/Q26W98P4
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...


Citation and Details

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


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a 28n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...


Citation and Details

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


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
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n/an/a 63n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin-like modifier-activating enzyme 1 [957-994]


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1
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n/an/a 90.8n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)


Article DOI: 10.1074/jbc.M111.279984
BindingDB Entry DOI: 10.7270/Q26W98P4
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
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n/an/a 97n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a 220n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50550643
PNG
(CHEMBL4749207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r|
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n/an/a 680n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50550642
PNG
(CHEMBL4787081)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1 [957-994]


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)


Article DOI: 10.1074/jbc.M111.279984
BindingDB Entry DOI: 10.7270/Q26W98P4
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50550640
PNG
(CHEMBL4749043)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01161
BindingDB Entry DOI: 10.7270/Q2K077W3
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50550641
PNG
(CHEMBL4781914)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...


Citation and Details

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