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BDBM50458007 CHEMBL4209883

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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=LWAKAHVTROSPCV-BSNUEQINSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50458007   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 3.80E+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-1/beta type-5


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 5.00E+3n/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
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 1.10E+3n/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 component C5


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nagahama Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH activity of human 26S proteasome using Z-LLE-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 component C5


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Nagahama Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-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 Macropain subunit


(Homo sapiens (Human))
BDBM50458007
PNG
(CHEMBL4209883)
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])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/m0/s1
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n/an/a 3.20E+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