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BDBM50021349 CHEMBL3287939

SMILES: CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O

InChI Key: InChIKey=BHKPXJXKNJTTJH-AWEZNQCLSA-N

Data: 3 KI

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 = 50021349   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
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PC sid
UniChem

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Article
PubMed
990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.11E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair