Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-2' and Ligand = 'BDBM50458010' 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)) | BDBM50458010
(CHEMBL4217338)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]-[#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@@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 |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 3.50E+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 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)) | BDBM50458010
(CHEMBL4217338)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]-[#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@@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 |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 4.10E+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 trypsin-like activity of 26S proteasome in human KMS11 cells using Boc-LRR-MCA as substrate after 24 to 48 hrs by luminescence-based as... |
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)) | BDBM50458010
(CHEMBL4217338)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]-[#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@@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 |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | |