Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-1' and Ligand = 'BDBM50458006' 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)) | BDBM50458006
(CHEMBL4213348)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@@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/C79H130N28O10/c1-3-59(67(54-27-31-57(32-28-54)116-47-45-106-41-8-4-5-9-42-106)55-29-33-58(34-30-55)117-48-46-107-43-10-6-7-11-44-107)56-20-12-19-53(49-56)50-99-66(109)51-98-60(21-13-35-92-74(80)81)68(110)101-62(23-15-37-94-76(84)85)70(112)103-64(25-17-39-96-78(88)89)72(114)105-65(26-18-40-97-79(90)91)73(115)104-63(24-16-38-95-77(86)87)71(113)102-61(69(111)100-52(2)108)22-14-36-93-75(82)83/h12,19-20,27-34,49,60-65,98H,3-11,13-18,21-26,35-48,50-51H2,1-2H3,(H,99,109)(H,101,110)(H,102,113)(H,103,112)(H,104,115)(H,105,114)(H4,80,81,92)(H4,82,83,93)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H,100,108,111)/t60-,61-,62-,63-,64-,65-/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 | 3.30E+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 PGPH activity of human 20S proteasome using Z-LLE-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-1
(Homo sapiens (Human)) | BDBM50458006
(CHEMBL4213348)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@@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/C79H130N28O10/c1-3-59(67(54-27-31-57(32-28-54)116-47-45-106-41-8-4-5-9-42-106)55-29-33-58(34-30-55)117-48-46-107-43-10-6-7-11-44-107)56-20-12-19-53(49-56)50-99-66(109)51-98-60(21-13-35-92-74(80)81)68(110)101-62(23-15-37-94-76(84)85)70(112)103-64(25-17-39-96-78(88)89)72(114)105-65(26-18-40-97-79(90)91)73(115)104-63(24-16-38-95-77(86)87)71(113)102-61(69(111)100-52(2)108)22-14-36-93-75(82)83/h12,19-20,27-34,49,60-65,98H,3-11,13-18,21-26,35-48,50-51H2,1-2H3,(H,99,109)(H,101,110)(H,102,113)(H,103,112)(H,104,115)(H,105,114)(H4,80,81,92)(H4,82,83,93)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H,100,108,111)/t60-,61-,62-,63-,64-,65-/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 PGPH activity of human 26S proteasome using Z-LLE-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 | |