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BDBM50307481 (S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide::CHEMBL578478

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=XGLBOPYPKBXJKE-KGSCVCOFSA-N

Data: 15 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 15 hits for monomerid = 50307481   
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 component C5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 1 using nLPnLD as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based competitive a...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 5 using LLVY as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based co...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe b...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based co...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a<1.00E+5n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based competitive a...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
20S proteasome


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe b...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Leiden Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based compet...


J Med Chem 59: 7177-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00705
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50307481
PNG
((S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
PDB
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PC cid
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UniChem

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome beta 2 using RLR as substrate


J Med Chem 53: 2319-23 (2010)


Article DOI: 10.1021/jm9015685
BindingDB Entry DOI: 10.7270/Q2WS8TCH
More data for this
Ligand-Target Pair