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BDBM50259657 CHEMBL4068221

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

InChI Key: InChIKey=FYRFOQBOEFAQNE-SFTDATJTSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50259657   
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 Macropain subunit


(Homo sapiens (Human))
BDBM50259657
PNG
(CHEMBL4068221)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)14-21(24(30)31)26-22(28)20(15-18-10-6-4-7-11-18)25-23(29)27(3)16-19-12-8-5-9-13-19/h4-13,17,20-21,30-31H,14-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
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PC sid
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Article
PubMed
n/an/a 190n/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-1/beta type-5


(Homo sapiens (Human))
BDBM50259657
PNG
(CHEMBL4068221)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)14-21(24(30)31)26-22(28)20(15-18-10-6-4-7-11-18)25-23(29)27(3)16-19-12-8-5-9-13-19/h4-13,17,20-21,30-31H,14-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 2n/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 component C5


(Homo sapiens (Human))
BDBM50259657
PNG
(CHEMBL4068221)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C23H32BN3O4/c1-17(2)14-21(24(30)31)26-22(28)20(15-18-10-6-4-7-11-18)25-23(29)27(3)16-19-12-8-5-9-13-19/h4-13,17,20-21,30-31H,14-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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