BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-2' and Ligand = 'BDBM50458003'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50458003
PNG
(CHEMBL4218282)
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](-[#6])=O)c1 |r|
Show InChI InChI=1S/C67H106N20O8/c1-3-53(59(48-23-27-51(28-24-48)94-41-39-86-35-8-4-5-9-36-86)49-25-29-52(30-26-49)95-42-40-87-37-10-6-7-11-38-87)50-18-12-17-47(43-50)44-81-58(89)45-80-54(19-13-31-76-64(68)69)60(90)83-56(21-15-33-78-66(72)73)62(92)85-57(22-16-34-79-67(74)75)63(93)84-55(61(91)82-46(2)88)20-14-32-77-65(70)71/h12,17-18,23-30,43,54-57,80H,3-11,13-16,19-22,31-42,44-45H2,1-2H3,(H,81,89)(H,83,90)(H,84,93)(H,85,92)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)(H,82,88,91)/t54-,55-,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/an/a 3.70E+3n/an/an/an/an/an/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))
BDBM50458003
PNG
(CHEMBL4218282)
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](-[#6])=O)c1 |r|
Show InChI InChI=1S/C67H106N20O8/c1-3-53(59(48-23-27-51(28-24-48)94-41-39-86-35-8-4-5-9-36-86)49-25-29-52(30-26-49)95-42-40-87-37-10-6-7-11-38-87)50-18-12-17-47(43-50)44-81-58(89)45-80-54(19-13-31-76-64(68)69)60(90)83-56(21-15-33-78-66(72)73)62(92)85-57(22-16-34-79-67(74)75)63(93)84-55(61(91)82-46(2)88)20-14-32-77-65(70)71/h12,17-18,23-30,43,54-57,80H,3-11,13-16,19-22,31-42,44-45H2,1-2H3,(H,81,89)(H,83,90)(H,84,93)(H,85,92)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)(H,82,88,91)/t54-,55-,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/an/a>4.00E+4n/an/an/an/an/an/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