BindingDB logo
myBDB logout

BDBM50458011 CHEMBL4217753

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

InChI Key: InChIKey=QILMXYSQMXEFFS-HTZDTEJJSA-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 = 50458011   
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 component C5


(Homo sapiens (Human))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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 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))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/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 subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 6.10E+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 Macropain subunit


(Homo sapiens (Human))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 2.40E+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
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50458011
PNG
(CHEMBL4217753)
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](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+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