Found 12 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-1' and Ligand = 'BDBM50069985' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128478 BindingDB Entry DOI: 10.7270/Q20R9TGT |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of 20s immunoproteasome beta1 caspase-like activity in human spleen using Ac-Pro-Ala-Leu-AMC as substrate after 10 mins by fluorescence as... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.12.053 BindingDB Entry DOI: 10.7270/Q29W0J2W |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description Inhibition of post glutamyl peptide hydrolase-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 | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Federico II
Curated by ChEMBL
| Assay Description Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m... |
Eur J Med Chem 121: 578-591 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of 20s constitutive proteasome beta1 caspase-like activity in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate after 10 mins by flu... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.12.053 BindingDB Entry DOI: 10.7270/Q29W0J2W |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128478 BindingDB Entry DOI: 10.7270/Q20R9TGT |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of caspase-like activity of 20S human proteasome assessed as Z-nLPnLD-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated... |
Bioorg Med Chem Lett 26: 2801-2805 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.067 BindingDB Entry DOI: 10.7270/Q2N018GG |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b... |
Eur J Med Chem 71: 290-305 (2014)
Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for norepinephrine as agonist. |
J Med Chem 20: 430-9 (1977)
Article DOI: 10.1021/jm00213a022 BindingDB Entry DOI: 10.7270/Q2ZC85WV |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Iwate University
Curated by ChEMBL
| Assay Description Inhibition of caspase-like activity of beta1 subunit of 20S proteasome in human erythrocytes using Z-LLE-MCA as substrate preincubated with enzyme fo... |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.115161 BindingDB Entry DOI: 10.7270/Q29W0JZJ |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University Paris 6
Curated by ChEMBL
| Assay Description Inhibition of postacid activity of 20s proteasome beta-1 subunit in HEK293 cells using Z-nLPnLD-Glo as substrate incubated for 2 hrs prior to substra... |
J Med Chem 56: 3367-78 (2013)
Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069985
![PNG](/data/jpeg/tenK5006/BindingDB_50069985.png) ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by ChEMBL
| Assay Description Inhibition of 20S proteosome beta 1 purified from human HCT116 cells using Z-LLE-AMC as substrate incubated for 30 to 120 mins by fluorimetry |
ACS Med Chem Lett 10: 1086-1092 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00233 BindingDB Entry DOI: 10.7270/Q2930XK7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |