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Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with all data for entry = 50047377   
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))		BDBM50163687
PNG
(CHEMBL3793848)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-8,11-13,15,17,22,25,28-31H,9-10,14,16,18-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,28-,29-,30?,31-,35-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163687
PNG
(CHEMBL3793848)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-8,11-13,15,17,22,25,28-31H,9-10,14,16,18-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,28-,29-,30?,31-,35-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163559
PNG
(CHEMBL3794168)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27-,28-,29-,30?,31-,35-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163559
PNG
(CHEMBL3794168)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27-,28-,29-,30?,31-,35-/m0/s1
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n/an/a 1.12n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163685
PNG
(CHEMBL3793581)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C32H49BN2O4/c1-19(2)15-25(34-29(36)24-14-10-12-21-11-8-9-13-23(21)24)30(37)35-28(16-20(3)4)33-38-27-18-22-17-26(31(22,5)6)32(27,7)39-33/h10,12,14,19-20,22,25-28H,8-9,11,13,15-18H2,1-7H3,(H,34,36)(H,35,37)/t22-,25-,26-,27?,28-,32-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163673
PNG
(CHEMBL3793238)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C39H47BN2O4/c1-25-14-16-27(17-15-25)21-35(40-45-34-24-31-23-33(38(31,2)3)39(34,4)46-40)42-37(44)32(20-26-10-6-5-7-11-26)41-36(43)30-19-18-28-12-8-9-13-29(28)22-30/h5-17,30-35H,18-24H2,1-4H3,(H,41,43)(H,42,44)/t30?,31-,32-,33-,34?,35-,39-/m0/s1
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n/an/a 1.16n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163698
PNG
(CHEMBL3794310)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)19-35(40-45-34-23-29-22-33(38(29,3)4)39(34,5)46-40)42-37(44)32(21-25-17-18-26-11-6-7-13-28(26)20-25)41-36(43)31-16-10-14-27-12-8-9-15-30(27)31/h6-7,10-11,13-14,16-18,20,24,29,32-35H,8-9,12,15,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t29-,32-,33-,34?,35-,39-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163685
PNG
(CHEMBL3793581)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C32H49BN2O4/c1-19(2)15-25(34-29(36)24-14-10-12-21-11-8-9-13-23(21)24)30(37)35-28(16-20(3)4)33-38-27-18-22-17-26(31(22,5)6)32(27,7)39-33/h10,12,14,19-20,22,25-28H,8-9,11,13,15-18H2,1-7H3,(H,34,36)(H,35,37)/t22-,25-,26-,27?,28-,32-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163673
PNG
(CHEMBL3793238)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C39H47BN2O4/c1-25-14-16-27(17-15-25)21-35(40-45-34-24-31-23-33(38(31,2)3)39(34,4)46-40)42-37(44)32(20-26-10-6-5-7-11-26)41-36(43)30-19-18-28-12-8-9-13-29(28)22-30/h5-17,30-35H,18-24H2,1-4H3,(H,41,43)(H,42,44)/t30?,31-,32-,33-,34?,35-,39-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163698
PNG
(CHEMBL3794310)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)19-35(40-45-34-23-29-22-33(38(29,3)4)39(34,5)46-40)42-37(44)32(21-25-17-18-26-11-6-7-13-28(26)20-25)41-36(43)31-16-10-14-27-12-8-9-15-30(27)31/h6-7,10-11,13-14,16-18,20,24,29,32-35H,8-9,12,15,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t29-,32-,33-,34?,35-,39-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163565
PNG
(CHEMBL3794136)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C38H44BFN2O4/c1-37(2)27-22-32(37)38(3)33(23-27)45-39(46-38)34(21-25-16-18-28(40)19-17-25)42-36(44)31(20-24-10-5-4-6-11-24)41-35(43)30-15-9-13-26-12-7-8-14-29(26)30/h4-8,10-12,14,16-19,27,30-34H,9,13,15,20-23H2,1-3H3,(H,41,43)(H,42,44)/t27-,30-,31-,32-,33?,34-,38-/m0/s1
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n/an/a 1.26n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163565
PNG
(CHEMBL3794136)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C38H44BFN2O4/c1-37(2)27-22-32(37)38(3)33(23-27)45-39(46-38)34(21-25-16-18-28(40)19-17-25)42-36(44)31(20-24-10-5-4-6-11-24)41-35(43)30-15-9-13-26-12-7-8-14-29(26)30/h4-8,10-12,14,16-19,27,30-34H,9,13,15,20-23H2,1-3H3,(H,41,43)(H,42,44)/t27-,30-,31-,32-,33?,34-,38-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163689
PNG
(CHEMBL3794207)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6,8,10-12,14-17,19,24,28,32-35H,7,9,13,18,20-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,32-,33-,34?,35-,39-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163689
PNG
(CHEMBL3794207)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccc2CCCCc12 |r|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6,8,10-12,14-17,19,24,28,32-35H,7,9,13,18,20-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,32-,33-,34?,35-,39-/m0/s1
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n/an/a 1.34n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163668
PNG
(CHEMBL3793242)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)17-31(36-41-30-21-27-20-29(34(27,3)4)35(30,5)42-36)38-33(40)28(18-23-11-7-6-8-12-23)37-32(39)26-16-15-24-13-9-10-14-25(24)19-26/h6-14,22,26-31H,15-21H2,1-5H3,(H,37,39)(H,38,40)/t26?,27-,28-,29-,30?,31-,35-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163668
PNG
(CHEMBL3793242)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)17-31(36-41-30-21-27-20-29(34(27,3)4)35(30,5)42-36)38-33(40)28(18-23-11-7-6-8-12-23)37-32(39)26-16-15-24-13-9-10-14-25(24)19-26/h6-14,22,26-31H,15-21H2,1-5H3,(H,37,39)(H,38,40)/t26?,27-,28-,29-,30?,31-,35-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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 1.90n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163561
PNG
(CHEMBL3792511)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CCCC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-5-6-19-31(36-41-30-22-25-21-29(34(25,2)3)35(30,4)42-36)38-33(40)28(20-23-13-8-7-9-14-23)37-32(39)27-18-12-16-24-15-10-11-17-26(24)27/h7-11,13-15,17,25,27-31H,5-6,12,16,18-22H2,1-4H3,(H,37,39)(H,38,40)/t25-,27-,28-,29-,30?,31-,35-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163555
PNG
(CHEMBL606394)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C29H39BN4O4/c1-18(2)13-25(30-37-24-16-20-15-23(28(20,3)4)29(24,5)38-30)34-26(35)21(14-19-9-7-6-8-10-19)33-27(36)22-17-31-11-12-32-22/h6-12,17-18,20-21,23-25H,13-16H2,1-5H3,(H,33,36)(H,34,35)/t20-,21-,23-,24?,25-,29-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
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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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163555
PNG
(CHEMBL606394)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C29H39BN4O4/c1-18(2)13-25(30-37-24-16-20-15-23(28(20,3)4)29(24,5)38-30)34-26(35)21(14-19-9-7-6-8-10-19)33-27(36)22-17-31-11-12-32-22/h6-12,17-18,20-21,23-25H,13-16H2,1-5H3,(H,33,36)(H,34,35)/t20-,21-,23-,24?,25-,29-/m0/s1
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n/an/a 1.92n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163561
PNG
(CHEMBL3792511)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CCCC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-5-6-19-31(36-41-30-22-25-21-29(34(25,2)3)35(30,4)42-36)38-33(40)28(20-23-13-8-7-9-14-23)37-32(39)27-18-12-16-24-15-10-11-17-26(24)27/h7-11,13-15,17,25,27-31H,5-6,12,16,18-22H2,1-4H3,(H,37,39)(H,38,40)/t25-,27-,28-,29-,30?,31-,35-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163703
PNG
(CHEMBL3792573)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C26H39BN2O4/c1-16(2)12-23(27-32-22-15-19-14-21(25(19,4)5)26(22,6)33-27)29-24(31)20(28-17(3)30)13-18-10-8-7-9-11-18/h7-11,16,19-23H,12-15H2,1-6H3,(H,28,30)(H,29,31)/t19-,20-,21-,22?,23-,26-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163703
PNG
(CHEMBL3792573)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C26H39BN2O4/c1-16(2)12-23(27-32-22-15-19-14-21(25(19,4)5)26(22,6)33-27)29-24(31)20(28-17(3)30)13-18-10-8-7-9-11-18/h7-11,16,19-23H,12-15H2,1-6H3,(H,28,30)(H,29,31)/t19-,20-,21-,22?,23-,26-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163693
PNG
(CHEMBL3793093)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C39H45BN2O4/c1-24(2)19-35(40-45-34-23-30-22-33(38(30,3)4)39(34,5)46-40)42-37(44)32(21-28-15-10-14-26-12-8-9-16-31(26)28)41-36(43)29-18-17-25-11-6-7-13-27(25)20-29/h6-18,20,24,30,32-35H,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t30-,32-,33-,34?,35-,39-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163693
PNG
(CHEMBL3793093)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C39H45BN2O4/c1-24(2)19-35(40-45-34-23-30-22-33(38(30,3)4)39(34,5)46-40)42-37(44)32(21-28-15-10-14-26-12-8-9-16-31(26)28)41-36(43)29-18-17-25-11-6-7-13-27(25)20-29/h6-18,20,24,30,32-35H,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t30-,32-,33-,34?,35-,39-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163704
PNG
(CHEMBL3793863)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C30H39BN2O4/c1-19-11-13-22(14-12-19)16-27(31-36-26-18-23-17-25(29(23,3)4)30(26,5)37-31)33-28(35)24(32-20(2)34)15-21-9-7-6-8-10-21/h6-14,23-27H,15-18H2,1-5H3,(H,32,34)(H,33,35)/t23-,24-,25-,26?,27-,30-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163704
PNG
(CHEMBL3793863)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C30H39BN2O4/c1-19-11-13-22(14-12-19)16-27(31-36-26-18-23-17-25(29(23,3)4)30(26,5)37-31)33-28(35)24(32-20(2)34)15-21-9-7-6-8-10-21/h6-14,23-27H,15-18H2,1-5H3,(H,32,34)(H,33,35)/t23-,24-,25-,26?,27-,30-/m0/s1
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n/an/a 2.73n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163557
PNG
(CHEMBL3792854)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C32H36BFN4O4/c1-31(2)22-17-26(31)32(3)27(18-22)41-33(42-32)28(16-21-9-11-23(34)12-10-21)38-29(39)24(15-20-7-5-4-6-8-20)37-30(40)25-19-35-13-14-36-25/h4-14,19,22,24,26-28H,15-18H2,1-3H3,(H,37,40)(H,38,39)/t22-,24-,26-,27?,28-,32-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163557
PNG
(CHEMBL3792854)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C32H36BFN4O4/c1-31(2)22-17-26(31)32(3)27(18-22)41-33(42-32)28(16-21-9-11-23(34)12-10-21)38-29(39)24(15-20-7-5-4-6-8-20)37-30(40)25-19-35-13-14-36-25/h4-14,19,22,24,26-28H,15-18H2,1-3H3,(H,37,40)(H,38,39)/t22-,24-,26-,27?,28-,32-/m0/s1
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n/an/a 3.21n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163715
PNG
(CHEMBL3793683)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C38H44BN3O5/c1-24-14-16-25(17-15-24)18-34(39-46-33-21-28-20-32(37(28,2)3)38(33,4)47-39)42-35(43)31(19-27-22-40-30-13-9-8-12-29(27)30)41-36(44)45-23-26-10-6-5-7-11-26/h5-17,22,28,31-34,40H,18-21,23H2,1-4H3,(H,41,44)(H,42,43)/t28-,31-,32-,33?,34-,38-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163715
PNG
(CHEMBL3793683)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C38H44BN3O5/c1-24-14-16-25(17-15-24)18-34(39-46-33-21-28-20-32(37(28,2)3)38(33,4)47-39)42-35(43)31(19-27-22-40-30-13-9-8-12-29(27)30)41-36(44)45-23-26-10-6-5-7-11-26/h5-17,22,28,31-34,40H,18-21,23H2,1-4H3,(H,41,44)(H,42,43)/t28-,31-,32-,33?,34-,38-/m0/s1
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n/an/a 3.34n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163669
PNG
(CHEMBL3793066)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C38H45BN2O4/c1-37(2)30-23-32(37)38(3)33(24-30)44-39(45-38)34(21-26-14-8-5-9-15-26)41-36(43)31(20-25-12-6-4-7-13-25)40-35(42)29-19-18-27-16-10-11-17-28(27)22-29/h4-17,29-34H,18-24H2,1-3H3,(H,40,42)(H,41,43)/t29?,30-,31-,32-,33?,34-,38-/m0/s1
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n/an/a 3.37n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163669
PNG
(CHEMBL3793066)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C38H45BN2O4/c1-37(2)30-23-32(37)38(3)33(24-30)44-39(45-38)34(21-26-14-8-5-9-15-26)41-36(43)31(20-25-12-6-4-7-13-25)40-35(42)29-19-18-27-16-10-11-17-28(27)22-29/h4-17,29-34H,18-24H2,1-3H3,(H,40,42)(H,41,43)/t29?,30-,31-,32-,33?,34-,38-/m0/s1
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Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163663
PNG
(CHEMBL3794171)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C37H48BN3O4/c1-22(2)17-33(38-44-32-20-25-19-31(36(25,3)4)37(32,5)45-38)41-35(43)30(18-24-21-39-29-16-9-8-14-27(24)29)40-34(42)28-15-10-12-23-11-6-7-13-26(23)28/h6-9,11,13-14,16,21-22,25,28,30-33,39H,10,12,15,17-20H2,1-5H3,(H,40,42)(H,41,43)/t25-,28?,30-,31-,32?,33-,37-/m0/s1
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n/an/a 3.67n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163663
PNG
(CHEMBL3794171)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C37H48BN3O4/c1-22(2)17-33(38-44-32-20-25-19-31(36(25,3)4)37(32,5)45-38)41-35(43)30(18-24-21-39-29-16-9-8-14-27(24)29)40-34(42)28-15-10-12-23-11-6-7-13-26(23)28/h6-9,11,13-14,16,21-22,25,28,30-33,39H,10,12,15,17-20H2,1-5H3,(H,40,42)(H,41,43)/t25-,28?,30-,31-,32?,33-,37-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163558
PNG
(CHEMBL3793344)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27?,28-,29-,30?,31-,35-/m0/s1
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n/an/a 4.18n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163558
PNG
(CHEMBL3793344)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27?,28-,29-,30?,31-,35-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163649
PNG
(CHEMBL1169560)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCc2ccccc12 |r,TLB:12:13:2:5,10:8:2:5,THB:9:8:2:5|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6-10,12-14,16-18,24,28,31-35H,11,15,19-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,31?,32-,33-,34?,35-,39-/m0/s1
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n/an/a 4.26n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163649
PNG
(CHEMBL1169560)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCc2ccccc12 |r,TLB:12:13:2:5,10:8:2:5,THB:9:8:2:5|
Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6-10,12-14,16-18,24,28,31-35H,11,15,19-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,31?,32-,33-,34?,35-,39-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163718
PNG
(CHEMBL499083)
Show SMILES OB(O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C22H22BFN4O4/c24-17-8-6-16(7-9-17)13-20(23(31)32)28-21(29)18(12-15-4-2-1-3-5-15)27-22(30)19-14-25-10-11-26-19/h1-11,14,18,20,31-32H,12-13H2,(H,27,30)(H,28,29)/t18-,20-/m0/s1
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n/an/a 4.37n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163718
PNG
(CHEMBL499083)
Show SMILES OB(O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C22H22BFN4O4/c24-17-8-6-16(7-9-17)13-20(23(31)32)28-21(29)18(12-15-4-2-1-3-5-15)27-22(30)19-14-25-10-11-26-19/h1-11,14,18,20,31-32H,12-13H2,(H,27,30)(H,28,29)/t18-,20-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163724
PNG
(CHEMBL3793107)
Show SMILES COc1cc(C[C@H](NC(=O)c2cc(Cl)ccc2Cl)C(=O)N[C@@H](CC(C)C)B(O)O)cc(OC)c1 |r|
Show InChI InChI=1S/C23H29BCl2N2O6/c1-13(2)7-21(24(31)32)28-23(30)20(10-14-8-16(33-3)12-17(9-14)34-4)27-22(29)18-11-15(25)5-6-19(18)26/h5-6,8-9,11-13,20-21,31-32H,7,10H2,1-4H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163556
PNG
(CHEMBL3794440)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C33H39BN4O4/c1-21-10-12-23(13-11-21)17-29(34-41-28-19-24-18-27(32(24,2)3)33(28,4)42-34)38-30(39)25(16-22-8-6-5-7-9-22)37-31(40)26-20-35-14-15-36-26/h5-15,20,24-25,27-29H,16-19H2,1-4H3,(H,37,40)(H,38,39)/t24-,25-,27-,28?,29-,33-/m0/s1
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n/an/a 4.85n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163556
PNG
(CHEMBL3794440)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C33H39BN4O4/c1-21-10-12-23(13-11-21)17-29(34-41-28-19-24-18-27(32(24,2)3)33(28,4)42-34)38-30(39)25(16-22-8-6-5-7-9-22)37-31(40)26-20-35-14-15-36-26/h5-15,20,24-25,27-29H,16-19H2,1-4H3,(H,37,40)(H,38,39)/t24-,25-,27-,28?,29-,33-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50163560
PNG
(CHEMBL3792730)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27+,28-,29-,30?,31-,35-/m0/s1
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n/an/a 5.17n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...

Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
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