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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-7' and Ligand = 'BDBM50007197'   
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-7


(Homo sapiens (Human))
BDBM50007197
PNG
(CHEMBL3237869)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C45H60BN3O7/c1-31(2)23-40(46-55-39-25-36-24-38(44(36,3)4)45(39,5)56-46)49-43(52)37(48-42(51)35-19-13-8-14-20-35)26-41(50)47-22-21-34(29-53-27-32-15-9-6-10-16-32)30-54-28-33-17-11-7-12-18-33/h6-20,31,34,36-40H,21-30H2,1-5H3,(H,47,50)(H,48,51)(H,49,52)/t36-,37-,38-,39+,40-,45-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007197
PNG
(CHEMBL3237869)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C45H60BN3O7/c1-31(2)23-40(46-55-39-25-36-24-38(44(36,3)4)45(39,5)56-46)49-43(52)37(48-42(51)35-19-13-8-14-20-35)26-41(50)47-22-21-34(29-53-27-32-15-9-6-10-16-32)30-54-28-33-17-11-7-12-18-33/h6-20,31,34,36-40H,21-30H2,1-5H3,(H,47,50)(H,48,51)(H,49,52)/t36-,37-,38-,39+,40-,45-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007197
PNG
(CHEMBL3237869)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C45H60BN3O7/c1-31(2)23-40(46-55-39-25-36-24-38(44(36,3)4)45(39,5)56-46)49-43(52)37(48-42(51)35-19-13-8-14-20-35)26-41(50)47-22-21-34(29-53-27-32-15-9-6-10-16-32)30-54-28-33-17-11-7-12-18-33/h6-20,31,34,36-40H,21-30H2,1-5H3,(H,47,50)(H,48,51)(H,49,52)/t36-,37-,38-,39+,40-,45-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair