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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50536452'   
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-5


(Homo sapiens (Human))
BDBM50536452
PNG
(CHEMBL4574722)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-19,21,26,32-35H,20,22-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based co...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536452
PNG
(CHEMBL4574722)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-19,21,26,32-35H,20,22-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe b...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair