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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-10' and Ligand = 'BDBM50517607'   
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-10


(Homo sapiens (Human))
BDBM50517607
PNG
(CHEMBL4590398)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H43N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-15,20-21,25-28,39H,16-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/b15-14+/t21-,25-,26+,27+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 in human Raji cell lysates after 1 hr by competitive ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517607
PNG
(CHEMBL4590398)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H43N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-15,20-21,25-28,39H,16-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/b15-14+/t21-,25-,26+,27+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50517607
PNG
(CHEMBL4590398)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r|
Show InChI InChI=1S/C31H43N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-15,20-21,25-28,39H,16-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/b15-14+/t21-,25-,26+,27+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 20S immunoproteasome beta 2 in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay


J Med Chem 62: 1626-1642 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01884
BindingDB Entry DOI: 10.7270/Q28P63XM
More data for this
Ligand-Target Pair