Brief Information of the Compound and Protein
Compound Name
(R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butylboronic acid
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PubChem ID
CID: 387447
SID: 14853748
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
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Compound Formula C19H25BN4O4
Compound Structure
Protein Name
Proteasome subunit beta type-5
Protein Classification
Enzyme
>
Protease
>
Threonine protease
>
Threonine protease PBT clan
>
Threonine protease T1A subfamily
Uniprot ID
P28074
Gene Name
PSMB5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000187 Calu-6 Homo sapiens (Human)  1
1
IC50 = 3.9 nM
   TI
   LI
   LO
   TS
CL000018 HL-60 Homo sapiens (Human)  2
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
2
IC50 = 6.67 nM
   TI
   LI
   LO
   TS
CL000164 SEM Homo sapiens (Human)  1
1
IC50 = 4.43 nM
   TI
   LI
   LO
   TS
CL000165 SUP-B15 Homo sapiens (Human)  1
1
IC50 = 28.09 nM
   TI
   LI
   LO
   TS
CL000596 U266B1 Homo sapiens (Human)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 1.9 nM
3 IC50 = 3.2 nM
4 IC50 = 4.5 nM
5 IC50 = 4.68 nM
6 IC50 = 6 nM
7 IC50 = 6.2 nM
8 IC50 = 7 nM
9 IC50 = 7.04 nM
10 IC50 = 7.09 nM
11 IC50 = 7.9 nM
12 IC50 = 8.3 nM
13 IC50 = 10.8 nM
14 IC50 = 11 nM
15 IC50 = 140 nM
16 IC50 = 2100 nM
17 Ki = 0.55 nM
18 Ki = 0.6 nM
19 Ki = 9.8 nM