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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-2' and Ligand = 'BDBM50444909'   
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))
BDBM50444909
PNG
(CHEMBL3099618)
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)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
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)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50444909
PNG
(CHEMBL3099618)
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)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/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