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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 = 'BDBM50536447'   
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))
BDBM50536447
PNG
(CHEMBL4572766)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H46N6O5/c1-22(2)17-25(29(41)34(6)21-45-34)36-30(42)26(18-23-13-9-7-10-14-23)37-32(44)28(20-33(3,4)5)38-31(43)27(39-40-35)19-24-15-11-8-12-16-24/h7-16,22,25-28H,17-21H2,1-6H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,34+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536447
PNG
(CHEMBL4572766)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H46N6O5/c1-22(2)17-25(29(41)34(6)21-45-34)36-30(42)26(18-23-13-9-7-10-14-23)37-32(44)28(20-33(3,4)5)38-31(43)27(39-40-35)19-24-15-11-8-12-16-24/h7-16,22,25-28H,17-21H2,1-6H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,34+/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 68n/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