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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 = 'BDBM50458009'   
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))
BDBM50458009
PNG
(CHEMBL4205518)
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])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r|
Show InChI InChI=1S/C69H98N8O9/c1-9-59(64(53-23-29-57(30-24-53)85-39-37-76-33-14-10-11-15-34-76)54-25-31-58(32-26-54)86-40-38-77-35-16-12-13-17-36-77)55-20-18-19-52(43-55)45-71-63(80)46-70-60(41-47(2)3)66(81)73-61(42-48(4)5)68(83)75-65(49(6)7)69(84)74-62(67(82)72-50(8)78)44-51-21-27-56(79)28-22-51/h18-32,43,47-49,60-62,65,70,79H,9-17,33-42,44-46H2,1-8H3,(H,71,80)(H,73,81)(H,74,84)(H,75,83)(H,72,78,82)/t60-,61-,62-,65-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/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))
BDBM50458009
PNG
(CHEMBL4205518)
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])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r|
Show InChI InChI=1S/C69H98N8O9/c1-9-59(64(53-23-29-57(30-24-53)85-39-37-76-33-14-10-11-15-34-76)54-25-31-58(32-26-54)86-40-38-77-35-16-12-13-17-36-77)55-20-18-19-52(43-55)45-71-63(80)46-70-60(41-47(2)3)66(81)73-61(42-48(4)5)68(83)75-65(49(6)7)69(84)74-62(67(82)72-50(8)78)44-51-21-27-56(79)28-22-51/h18-32,43,47-49,60-62,65,70,79H,9-17,33-42,44-46H2,1-8H3,(H,71,80)(H,73,81)(H,74,84)(H,75,83)(H,72,78,82)/t60-,61-,62-,65-/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 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