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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 = 'BDBM50007205'   
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))
BDBM50007205
PNG
(CHEMBL3237871)
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)c1cccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C50H63BN4O7/c1-34(2)26-45(51-61-44-28-39-27-43(49(39,3)4)50(44,5)62-51)55-48(58)42(54-47(57)41-23-15-22-40(53-41)38-20-13-8-14-21-38)29-46(56)52-25-24-37(32-59-30-35-16-9-6-10-17-35)33-60-31-36-18-11-7-12-19-36/h6-23,34,37,39,42-45H,24-33H2,1-5H3,(H,52,56)(H,54,57)(H,55,58)/t39-,42-,43-,44+,45-,50-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 7.5n/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))
BDBM50007205
PNG
(CHEMBL3237871)
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)c1cccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C50H63BN4O7/c1-34(2)26-45(51-61-44-28-39-27-43(49(39,3)4)50(44,5)62-51)55-48(58)42(54-47(57)41-23-15-22-40(53-41)38-20-13-8-14-21-38)29-46(56)52-25-24-37(32-59-30-35-16-9-6-10-17-35)33-60-31-36-18-11-7-12-19-36/h6-23,34,37,39,42-45H,24-33H2,1-5H3,(H,52,56)(H,54,57)(H,55,58)/t39-,42-,43-,44+,45-,50-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.00E+3n/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))
BDBM50007205
PNG
(CHEMBL3237871)
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)c1cccc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C50H63BN4O7/c1-34(2)26-45(51-61-44-28-39-27-43(49(39,3)4)50(44,5)62-51)55-48(58)42(54-47(57)41-23-15-22-40(53-41)38-20-13-8-14-21-38)29-46(56)52-25-24-37(32-59-30-35-16-9-6-10-17-35)33-60-31-36-18-11-7-12-19-36/h6-23,34,37,39,42-45H,24-33H2,1-5H3,(H,52,56)(H,54,57)(H,55,58)/t39-,42-,43-,44+,45-,50-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+4n/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