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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-8' and Ligand = 'BDBM388427'   
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-8


(Homo sapiens (Human))
BDBM388427
PNG
(US10294246, Compound No. 124)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12 |r|
Show InChI InChI=1S/C19H22BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,15,17,23-24H,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388427
PNG
(US10294246, Compound No. 124)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12 |r|
Show InChI InChI=1S/C19H22BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,15,17,23-24H,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388427
PNG
(US10294246, Compound No. 124)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12 |r|
Show InChI InChI=1S/C19H22BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,15,17,23-24H,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W
More data for this
Ligand-Target Pair