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PubMed code 26965867

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
BDBM50160869
PNG
(CHEMBL3786398)
Show SMILES CC(C)C[C@@H](NC(=O)CC(NC(=O)[C@H]1CCCc2ccccc12)c1cccc(F)c1)B(O)O |r|
Show InChI InChI=1S/C25H32BFN2O4/c1-16(2)13-23(26(32)33)29-24(30)15-22(18-9-5-10-19(27)14-18)28-25(31)21-12-6-8-17-7-3-4-11-20(17)21/h3-5,7,9-11,14,16,21-23,32-33H,6,8,12-13,15H2,1-2H3,(H,28,31)(H,29,30)/t21-,22?,23+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160867
PNG
(CHEMBL499361)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C25H33BN2O4/c1-17(2)15-23(26(31)32)28-25(30)22(16-18-9-4-3-5-10-18)27-24(29)21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,17,21-23,31-32H,8,12,14-16H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160868
PNG
(CHEMBL499504)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12)B(O)O |r|
Show InChI InChI=1S/C25H33BN2O4/c1-17(2)15-23(26(31)32)28-25(30)22(16-18-9-4-3-5-10-18)27-24(29)21-14-8-12-19-11-6-7-13-20(19)21/h3-5,8-10,12,14,17,22-23,31-32H,6-7,11,13,15-16H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
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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Article
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using ZGlyGlyLeuAMC/SucLeuLeuValTyrAMC as substrate measured every minute for 25 min...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160783
PNG
(CHEMBL3785681)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)B(O)O |r|
Show InChI InChI=1S/C20H33BN2O4/c1-14(2)11-17(21(26)27)23-19(25)16(12-15-9-7-6-8-10-15)22-18(24)13-20(3,4)5/h6-10,14,16-17,26-27H,11-13H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160790
PNG
(CHEMBL3786484)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1)B(O)O |r|
Show InChI InChI=1S/C20H31BN2O4/c1-14(2)12-18(21(26)27)23-20(25)17(13-15-8-4-3-5-9-15)22-19(24)16-10-6-7-11-16/h3-5,8-9,14,16-18,26-27H,6-7,10-13H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160778
PNG
(CHEMBL3785613)
Show SMILES COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |r|
Show InChI InChI=1S/C17H27BN2O5/c1-12(2)9-15(18(23)24)20-17(22)14(19-16(21)11-25-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,23-24H,9-11H2,1-3H3,(H,19,21)(H,20,22)/t14-,15-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160781
PNG
(CHEMBL3787673)
Show SMILES CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |r|
Show InChI InChI=1S/C18H29BN2O4/c1-4-8-17(22)20-15(12-14-9-6-5-7-10-14)18(23)21-16(19(24)25)11-13(2)3/h5-7,9-10,13,15-16,24-25H,4,8,11-12H2,1-3H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
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 7.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160780
PNG
(CHEMBL3785317)
Show SMILES COCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |r|
Show InChI InChI=1S/C18H29BN2O5/c1-13(2)11-16(19(24)25)21-18(23)15(20-17(22)9-10-26-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,24-25H,9-12H2,1-3H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%