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BDBM50259649 CHEMBL4077282

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O

InChI Key: InChIKey=RSYNCSWIHKUMQE-SFTDATJTSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50259649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50259649
PNG
(CHEMBL4077282)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)15-21(24(30)31)27-22(28)20(16-19-11-7-4-8-12-19)26-23(29)25-14-13-18-9-5-3-6-10-18/h3-12,17,20-21,30-31H,13-16H2,1-2H3,(H,27,28)(H2,25,26,29)/t20-,21-/m0/s1
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PC sid
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Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of 20S proteasome in human HL60 cells using Z-LRRaminoluciferin as substrate after 2 hrs by fluorescence analysis


Eur J Med Chem 125: 925-939 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.023
BindingDB Entry DOI: 10.7270/Q2348NTK
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50259649
PNG
(CHEMBL4077282)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)15-21(24(30)31)27-22(28)20(16-19-11-7-4-8-12-19)26-23(29)25-14-13-18-9-5-3-6-10-18/h3-12,17,20-21,30-31H,13-16H2,1-2H3,(H,27,28)(H2,25,26,29)/t20-,21-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Dissociation constant against galectin-3 using competitive fluorescence polarization


Eur J Med Chem 125: 925-939 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.023
BindingDB Entry DOI: 10.7270/Q2348NTK
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50259649
PNG
(CHEMBL4077282)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)15-21(24(30)31)27-22(28)20(16-19-11-7-4-8-12-19)26-23(29)25-14-13-18-9-5-3-6-10-18/h3-12,17,20-21,30-31H,13-16H2,1-2H3,(H,27,28)(H2,25,26,29)/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of 20S proteasome in human HL60 cells using Z-nLPnLDaminoluciferin as substrate after 2 hrs by fluorescence analy...


Eur J Med Chem 125: 925-939 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.023
BindingDB Entry DOI: 10.7270/Q2348NTK
More data for this
Ligand-Target Pair