Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-2' and Ligand = 'BDBM50458008' 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)) | BDBM50458008
(CHEMBL4204198)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](-[#7])=O |r| Show InChI InChI=1S/C65H102N20O8/c1-2-50(56(44-22-26-48(27-23-44)92-40-38-84-34-7-3-4-8-35-84)45-24-28-49(29-25-45)93-41-39-85-36-9-5-6-10-37-85)46-16-11-17-47(42-46)58(88)79-43-55(86)80-52(19-13-31-76-63(69)70)59(89)82-54(21-15-33-78-65(73)74)61(91)83-53(20-14-32-77-64(71)72)60(90)81-51(57(66)87)18-12-30-75-62(67)68/h11,16-17,22-29,42,51-54H,2-10,12-15,18-21,30-41,43H2,1H3,(H2,66,87)(H,79,88)(H,80,86)(H,81,90)(H,82,89)(H,83,91)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t51-,52-,53-,54-/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 | 350 | 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)) | BDBM50458008
(CHEMBL4204198)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](-[#7])=O |r| Show InChI InChI=1S/C65H102N20O8/c1-2-50(56(44-22-26-48(27-23-44)92-40-38-84-34-7-3-4-8-35-84)45-24-28-49(29-25-45)93-41-39-85-36-9-5-6-10-37-85)46-16-11-17-47(42-46)58(88)79-43-55(86)80-52(19-13-31-76-63(69)70)59(89)82-54(21-15-33-78-65(73)74)61(91)83-53(20-14-32-77-64(71)72)60(90)81-51(57(66)87)18-12-30-75-62(67)68/h11,16-17,22-29,42,51-54H,2-10,12-15,18-21,30-41,43H2,1H3,(H2,66,87)(H,79,88)(H,80,86)(H,81,90)(H,82,89)(H,83,91)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t51-,52-,53-,54-/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 | |