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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-7' and Ligand = 'BDBM50007208'   
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))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1 |r|
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/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 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES [H][C@]1([C@@H](C)CC)[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1 |r|
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/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 29n/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