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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50458014'   
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-5


(Homo sapiens (Human))
BDBM50458014
PNG
(CHEMBL4206039)
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])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H94N8O9/c1-8-56(61(49-22-28-54(29-23-49)83-38-36-74-32-13-9-10-14-33-74)50-24-30-55(31-25-50)84-39-37-75-34-15-11-12-16-35-75)51-18-17-19-52(43-51)64(79)69-44-60(77)70-58(40-45(2)3)65(80)72-59(41-46(4)5)66(81)73-62(47(6)7)67(82)71-57(63(68)78)42-48-20-26-53(76)27-21-48/h17-31,43,45-47,57-59,62,76H,8-16,32-42,44H2,1-7H3,(H2,68,78)(H,69,79)(H,70,77)(H,71,82)(H,72,80)(H,73,81)/t57-,58-,59-,62-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Nagahama Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-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-5


(Homo sapiens (Human))
BDBM50458014
PNG
(CHEMBL4206039)
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])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H94N8O9/c1-8-56(61(49-22-28-54(29-23-49)83-38-36-74-32-13-9-10-14-33-74)50-24-30-55(31-25-50)84-39-37-75-34-15-11-12-16-35-75)51-18-17-19-52(43-51)64(79)69-44-60(77)70-58(40-45(2)3)65(80)72-59(41-46(4)5)66(81)73-62(47(6)7)67(82)71-57(63(68)78)42-48-20-26-53(76)27-21-48/h17-31,43,45-47,57-59,62,76H,8-16,32-42,44H2,1-7H3,(H2,68,78)(H,69,79)(H,70,77)(H,71,82)(H,72,80)(H,73,81)/t57-,58-,59-,62-/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 2.60E+4n/an/an/an/an/an/a



Nagahama Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-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