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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50160867'   
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))
BDBM50160867
PNG
(CHEMBL499361)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C25H33BN2O4/c1-17(2)15-23(26(31)32)28-25(30)22(16-18-9-4-3-5-10-18)27-24(29)21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,17,21-23,31-32H,8,12,14-16H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-,23-/m0/s1
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PC cid
PC sid
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Article
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n/an/a 1.20n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...


Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160867
PNG
(CHEMBL499361)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C25H33BN2O4/c1-17(2)15-23(26(31)32)28-25(30)22(16-18-9-4-3-5-10-18)27-24(29)21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,17,21-23,31-32H,8,12,14-16H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-,23-/m0/s1
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PC cid
PC sid
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Article
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n/an/a 1.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 6...


Bioorg Med Chem Lett 26: 1958-62 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.007
BindingDB Entry DOI: 10.7270/Q2GT5Q2Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50160867
PNG
(CHEMBL499361)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C25H33BN2O4/c1-17(2)15-23(26(31)32)28-25(30)22(16-18-9-4-3-5-10-18)27-24(29)21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,17,21-23,31-32H,8,12,14-16H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Nanjing Forestry University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...


Bioorg Med Chem 24: 2576-88 (2016)


Article DOI: 10.1016/j.bmc.2016.04.025
BindingDB Entry DOI: 10.7270/Q2P84DSC
More data for this
Ligand-Target Pair