Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-1' and Ligand = 'BDBM50458011' 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)) | BDBM50458011
(CHEMBL4217753)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](-[#8])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 | 4.50E+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)) | BDBM50458011
(CHEMBL4217753)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](-[#8])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 | |