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 = 'BDBM50458008'   
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))
BDBM50458008
PNG
(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/an/a 350n/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))
BDBM50458008
PNG
(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/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