Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50458007' 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-5
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)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(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,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 | 1.10E+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 chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-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-5
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)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(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,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 | 5.00E+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 chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-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 | |