Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-2' and Ligand = 'BDBM50458003' 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-2
(Homo sapiens (Human)) | BDBM50458003
(CHEMBL4218282)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C67H106N20O8/c1-3-53(59(48-23-27-51(28-24-48)94-41-39-86-35-8-4-5-9-36-86)49-25-29-52(30-26-49)95-42-40-87-37-10-6-7-11-38-87)50-18-12-17-47(43-50)44-81-58(89)45-80-54(19-13-31-76-64(68)69)60(90)83-56(21-15-33-78-66(72)73)62(92)85-57(22-16-34-79-67(74)75)63(93)84-55(61(91)82-46(2)88)20-14-32-77-65(70)71/h12,17-18,23-30,43,54-57,80H,3-11,13-16,19-22,31-42,44-45H2,1-2H3,(H,81,89)(H,83,90)(H,84,93)(H,85,92)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)(H,82,88,91)/t54-,55-,56-,57-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458003
(CHEMBL4218282)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C67H106N20O8/c1-3-53(59(48-23-27-51(28-24-48)94-41-39-86-35-8-4-5-9-36-86)49-25-29-52(30-26-49)95-42-40-87-37-10-6-7-11-38-87)50-18-12-17-47(43-50)44-81-58(89)45-80-54(19-13-31-76-64(68)69)60(90)83-56(21-15-33-78-66(72)73)62(92)85-57(22-16-34-79-67(74)75)63(93)84-55(61(91)82-46(2)88)20-14-32-77-65(70)71/h12,17-18,23-30,43,54-57,80H,3-11,13-16,19-22,31-42,44-45H2,1-2H3,(H,81,89)(H,83,90)(H,84,93)(H,85,92)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)(H,82,88,91)/t54-,55-,56-,57-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of trypsin-like activity of human 26S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this Ligand-Target Pair | |