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Compile Data Set for Download or QSAR

Found 427 hits of ic50 data for polymerid = 6277   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50234966
PNG
(CHEMBL4061262)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C37H47ClN8O5/c1-37(2,3)24-42-32(47)21-30(44-36(51)46-19-15-26(16-20-46)33(48)45-31-23-39-17-18-40-31)35(50)43-29(14-13-25-9-5-4-6-10-25)34(49)41-22-27-11-7-8-12-28(27)38/h4-12,17-18,23,26,29-30H,13-16,19-22,24H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t29-,30-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50234983
PNG
(CHEMBL4104744)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C38H48ClN7O5/c1-38(2,3)25-42-33(47)22-32(45-37(51)46-20-17-27(18-21-46)34(48)43-29-13-9-19-40-24-29)36(50)44-31(16-15-26-10-5-4-6-11-26)35(49)41-23-28-12-7-8-14-30(28)39/h4-14,19,24,27,31-32H,15-18,20-23,25H2,1-3H3,(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,51)/t31-,32-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163687
PNG
(CHEMBL3793848)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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-1/beta type-5


(Homo sapiens (Human))
BDBM50234982
PNG
(CHEMBL4102324)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C36H46ClN7O5S/c1-36(2,3)23-40-30(45)21-29(42-35(49)44-18-15-25(16-19-44)31(46)43-34-38-17-20-50-34)33(48)41-28(14-13-24-9-5-4-6-10-24)32(47)39-22-26-11-7-8-12-27(26)37/h4-12,17,20,25,28-29H,13-16,18-19,21-23H2,1-3H3,(H,39,47)(H,40,45)(H,41,48)(H,42,49)(H,38,43,46)/t28-,29-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50234962
PNG
(CHEMBL4078056)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)NCc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C37H48ClN7O5S/c1-37(2,3)24-42-31(46)21-30(44-36(50)45-18-15-26(16-19-45)33(47)41-23-32-39-17-20-51-32)35(49)43-29(14-13-25-9-5-4-6-10-25)34(48)40-22-27-11-7-8-12-28(27)38/h4-12,17,20,26,29-30H,13-16,18-19,21-24H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,44,50)/t29-,30-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 5 using LLVY as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(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
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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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-1/beta type-5


(Homo sapiens (Human))
BDBM50234978
PNG
(CHEMBL4064404)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C38H48ClN7O5/c1-38(2,3)25-42-33(47)23-31(44-37(51)46-21-18-27(19-22-46)34(48)45-32-15-9-10-20-40-32)36(50)43-30(17-16-26-11-5-4-6-12-26)35(49)41-24-28-13-7-8-14-29(28)39/h4-15,20,27,30-31H,16-19,21-25H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t30-,31-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20s immunoproteasome chymotrypsin-like activity in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of proteas...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50234967
PNG
(CHEMBL4072652)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C37H47ClN8O5/c1-37(2,3)24-42-32(47)21-30(45-36(51)46-19-15-27(16-20-46)43-35(50)31-23-39-17-18-40-31)34(49)44-29(14-13-25-9-5-4-6-10-25)33(48)41-22-26-11-7-8-12-28(26)38/h4-12,17-18,23,27,29-30H,13-16,19-22,24H2,1-3H3,(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H,45,51)/t29-,30-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163559
PNG
(CHEMBL3794168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186686
PNG
(CHEMBL204992 | benzenesulfonyl-Glu(OtBu)-Ser-LeuVS...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C26H41N3O9S2/c1-18(2)16-19(14-15-39(6,34)35)27-25(33)22(17-30)28-24(32)21(12-13-23(31)38-26(3,4)5)29-40(36,37)20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,29-30H,12-13,16-17H2,1-6H3,(H,27,33)(H,28,32)/b15-14+/t19-,21+,22+/m1/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20s immunoproteasome chymotrypsin-like activity in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of proteas...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163673
PNG
(CHEMBL3793238)
Show SMILES Cc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCc3ccccc3C2)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163685
PNG
(CHEMBL3793581)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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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
20S proteasome chymotrypsin-like


(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
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163698
PNG
(CHEMBL3794310)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2CCCCc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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
20S proteasome chymotrypsin-like


(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
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-1/beta type-5


(Homo sapiens (Human))
BDBM50234981
PNG
(CHEMBL4078693)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C39H48ClFN6O5/c1-39(2,3)25-43-34(48)23-33(46-38(52)47-21-19-30(20-22-47)44-35(49)27-14-16-29(41)17-15-27)37(51)45-32(18-13-26-9-5-4-6-10-26)36(50)42-24-28-11-7-8-12-31(28)40/h4-12,14-17,30,32-33H,13,18-25H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)(H,45,51)(H,46,52)/t32-,33-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163689
PNG
(CHEMBL3794207)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccc2CCCCc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163565
PNG
(CHEMBL3794136)
Show SMILES CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50200507
PNG
(CHEMBL3890793)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C39H43ClN6O4/c40-33-16-8-7-14-31(33)26-42-37(48)34(19-17-28-10-3-1-4-11-28)44-38(49)35(20-18-29-12-5-2-6-13-29)45-39(50)46-24-21-30(22-25-46)36(47)43-32-15-9-23-41-27-32/h1-16,23,27,30,34-35H,17-22,24-26H2,(H,42,48)(H,43,47)(H,44,49)(H,45,50)/t34-,35-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Zhejiang Provinc

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163668
PNG
(CHEMBL3793242)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186721
PNG
(CHEMBL382203 | Cbz-Ile-NeopentylAsn-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H55N5O8S/c1-10-23(4)29(39-33(44)47-20-25-14-12-11-13-15-25)32(43)38-27(19-28(40)35-21-34(6,7)8)31(42)36-24(5)30(41)37-26(18-22(2)3)16-17-48(9,45)46/h11-17,22-24,26-27,29H,10,18-21H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)(H,39,44)/t23-,24-,26+,27-,29-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50234989
PNG
(CHEMBL4094582)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C39H48ClFN6O5/c1-39(2,3)25-43-34(48)23-33(46-38(52)47-21-19-27(20-22-47)35(49)44-30-16-14-29(41)15-17-30)37(51)45-32(18-13-26-9-5-4-6-10-26)36(50)42-24-28-11-7-8-12-31(28)40/h4-12,14-17,27,32-33H,13,18-25H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)(H,45,51)(H,46,52)/t32-,33-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50160868
PNG
(CHEMBL499504)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12)B(O)O
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50160868
PNG
(CHEMBL499504)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2CCCCc12)B(O)O
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163555
PNG
(CHEMBL606394)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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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
20S proteasome chymotrypsin-like


(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=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)
20S proteasome chymotrypsin-like


(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=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



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)
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163561
PNG
(CHEMBL3792511)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50307482
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C36H37F5N6O5/c1-19(2)14-23(32(48)36(3)18-52-36)43-34(50)25(17-22-27(37)29(39)31(41)30(40)28(22)38)45-33(49)24(15-20-10-6-4-7-11-20)44-35(51)26(46-47-42)16-21-12-8-5-9-13-21/h4-13,19,23-26H,14-18H2,1-3H3,(H,43,50)(H,44,51)(H,45,49)/t23-,24-,25-,26-,36+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 5 using LLVY as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186710
PNG
(CHEMBL207016 | pTosyl-Glu(OtBu)-Ala-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C27H43N3O8S2/c1-18(2)17-21(15-16-39(8,34)35)29-25(32)20(4)28-26(33)23(13-14-24(31)38-27(5,6)7)30-40(36,37)22-11-9-19(3)10-12-22/h9-12,15-16,18,20-21,23,30H,13-14,17H2,1-8H3,(H,28,33)(H,29,32)/b16-15+/t20-,21+,23-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163703
PNG
(CHEMBL3792573)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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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n/an/a 2.30n/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-1/beta type-5


(Homo sapiens (Human))
BDBM50234976
PNG
(CHEMBL4099839)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C37H46ClN7O5/c1-37(2,3)24-42-32(46)21-30(44-33(47)26-15-19-45(20-16-26)36(50)31-23-39-17-18-40-31)35(49)43-29(14-13-25-9-5-4-6-10-25)34(48)41-22-27-11-7-8-12-28(27)38/h4-12,17-18,23,26,29-30H,13-16,19-22,24H2,1-3H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)/t29-,30-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50200514
PNG
(CHEMBL3918862)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C39H43ClN6O4/c40-32-16-8-7-15-31(32)27-42-37(48)33(20-18-28-11-3-1-4-12-28)43-38(49)34(21-19-29-13-5-2-6-14-29)44-39(50)46-25-22-30(23-26-46)36(47)45-35-17-9-10-24-41-35/h1-17,24,30,33-34H,18-23,25-27H2,(H,42,48)(H,43,49)(H,44,50)(H,41,45,47)/t33-,34-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Zhejiang Provinc

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186697
PNG
(CHEMBL381735 | benzyl (2S,3S)-3-methyl-1-((S)-1-((...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)(C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C35H57N5O8S/c1-10-24(5)30(39-34(45)48-22-26-15-13-12-14-16-26)33(44)38-28(17-18-29(41)40-35(7,8)11-2)32(43)36-25(6)31(42)37-27(21-23(3)4)19-20-49(9,46)47/h12-16,19-20,23-25,27-28,30H,10-11,17-18,21-22H2,1-9H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H,40,41)/t24-,25-,27+,28-,30-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163693
PNG
(CHEMBL3793093)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186709
PNG
(CHEMBL207162 | Cbz-Ile-Glu(OtBu)-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H54N4O9S/c1-10-23(4)29(38-33(43)46-21-25-14-12-11-13-15-25)32(42)37-27(16-17-28(39)47-34(6,7)8)31(41)35-24(5)30(40)36-26(20-22(2)3)18-19-48(9,44)45/h11-15,18-19,22-24,26-27,29H,10,16-17,20-21H2,1-9H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)/t23-,24-,26+,27-,29-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50234975
PNG
(CHEMBL4082676)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C39H47ClFN5O5/c1-39(2,3)25-43-34(47)23-33(45-35(48)27-19-21-46(22-20-27)38(51)28-14-16-30(41)17-15-28)37(50)44-32(18-13-26-9-5-4-6-10-26)36(49)42-24-29-11-7-8-12-31(29)40/h4-12,14-17,27,32-33H,13,18-25H2,1-3H3,(H,42,49)(H,43,47)(H,44,50)(H,45,48)/t32-,33-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163704
PNG
(CHEMBL3793863)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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-1/beta type-5


(Homo sapiens (Human))
BDBM50234977
PNG
(CHEMBL4102973)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C38H48N8O7/c1-38(2,3)23-42-33(47)20-29(44-37(51)46-17-13-27(14-18-46)34(48)45-32-22-39-15-16-40-32)36(50)43-28(11-9-25-7-5-4-6-8-25)35(49)41-21-26-10-12-30-31(19-26)53-24-52-30/h4-8,10,12,15-16,19,22,27-29H,9,11,13-14,17-18,20-21,23-24H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t28-,29-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)

More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186712
PNG
(CHEMBL206206 | Cbz-Glu(OtBu)-Ser-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O
Show InChI InChI=1S/C28H43N3O9S/c1-19(2)16-21(14-15-41(6,37)38)29-26(35)23(17-32)30-25(34)22(12-13-24(33)40-28(3,4)5)31-27(36)39-18-20-10-8-7-9-11-20/h7-11,14-15,19,21-23,32H,12-13,16-18H2,1-6H3,(H,29,35)(H,30,34)(H,31,36)/t21-,22+,23+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50200509
PNG
(CHEMBL3890040)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C40H44ClN5O4/c41-34-19-11-10-16-32(34)28-42-38(48)35(22-20-29-12-4-1-5-13-29)44-39(49)36(23-21-30-14-6-2-7-15-30)45-40(50)46-26-24-31(25-27-46)37(47)43-33-17-8-3-9-18-33/h1-19,31,35-36H,20-28H2,(H,42,48)(H,43,47)(H,44,49)(H,45,50)/t35-,36-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Zhejiang Provinc

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50307480
PNG
(CHEMBL579296 | Pyrazine-2-carboxylic acid(1-[3-met...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C31H37BF6N4O4/c1-16(2)8-25(32-45-24-14-18-13-23(28(18,3)4)29(24,5)46-32)42-26(43)21(41-27(44)22-15-39-6-7-40-22)11-17-9-19(30(33,34)35)12-20(10-17)31(36,37)38/h6-7,9-10,12,15-16,18,21,23-25H,8,11,13-14H2,1-5H3,(H,41,44)(H,42,43)/t18-,21-,23-,24?,25-,29-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 5 using LLVY as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163557
PNG
(CHEMBL3792854)
Show SMILES CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(OC1C2)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186706
PNG
(CHEMBL438612 | Cbz-Ile-t-ButylGln-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H55N5O8S/c1-10-23(4)29(38-33(44)47-21-25-14-12-11-13-15-25)32(43)37-27(16-17-28(40)39-34(6,7)8)31(42)35-24(5)30(41)36-26(20-22(2)3)18-19-48(9,45)46/h11-15,18-19,22-24,26-27,29H,10,16-17,20-21H2,1-9H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,40)/t23-,24-,26+,27-,29-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163715
PNG
(CHEMBL3793683)
Show SMILES Cc1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta5 after 30 mins by fluorogenic assay


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
3D
3D Structure (crystal)
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50163669
PNG
(CHEMBL3793066)
Show SMILES CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(OC1C2)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCc2ccccc2C1
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 3.40n/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
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