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Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'besse' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100263
PNG
(CHEMBL3326907)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(O)=O)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C26H26N4O4/c1-4-5-24(31)21-13-27-30(17(21)3)19-9-7-18(8-10-19)28-26(34)22-14-29(15-25(32)33)23-11-6-16(2)12-20(22)23/h6-14H,4-5,15H2,1-3H3,(H,28,34)(H,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,31.41,wD:8.8,44.47,(77.52,-2.76,;77.84,-4.19,;79.29,-4.35,;76.76,-5.18,;77.08,-6.61,;75.74,-7.37,;74.42,-6.61,;74.42,-5.06,;73.08,-7.37,;73.08,-8.91,;74.42,-9.69,;74.41,-11.23,;75.73,-12,;77.07,-11.23,;77.07,-9.68,;75.73,-8.91,;71.75,-6.61,;70.41,-7.37,;70.41,-8.91,;69.07,-6.61,;69.07,-5.06,;70.41,-4.29,;71.75,-5.07,;73.09,-4.3,;73.09,-2.76,;74.42,-1.99,;71.74,-1.99,;70.41,-2.76,;67.74,-7.37,;66.4,-6.61,;66.4,-5.06,;65.07,-7.37,;63.74,-6.61,;62.4,-7.37,;61.08,-6.61,;59.75,-7.37,;59.73,-8.91,;61.08,-9.69,;62.4,-8.91,;65.07,-8.91,;66.35,-9.77,;67.64,-10.62,;78.42,-7.37,;78.42,-8.91,;79.75,-6.6,;80.84,-7.68,;79.74,-5.06,;81.08,-5.82,)|
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 2n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536438
PNG
(CHEMBL4534488)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,31.41,wD:8.8,44.47,(77.52,-2.76,;77.84,-4.19,;79.29,-4.35,;76.76,-5.18,;77.08,-6.61,;75.74,-7.37,;74.42,-6.61,;74.42,-5.06,;73.08,-7.37,;73.08,-8.91,;74.42,-9.69,;74.41,-11.23,;75.73,-12,;77.07,-11.23,;77.07,-9.68,;75.73,-8.91,;71.75,-6.61,;70.41,-7.37,;70.41,-8.91,;69.07,-6.61,;69.07,-5.06,;70.41,-4.29,;71.75,-5.07,;73.09,-4.3,;73.09,-2.76,;74.42,-1.99,;71.74,-1.99,;70.41,-2.76,;67.74,-7.37,;66.4,-6.61,;66.4,-5.06,;65.07,-7.37,;63.74,-6.61,;62.4,-7.37,;61.08,-6.61,;59.75,-7.37,;59.73,-8.91,;61.08,-9.69,;62.4,-8.91,;65.07,-8.91,;66.35,-9.77,;67.64,-10.62,;78.42,-7.37,;78.42,-8.91,;79.75,-6.6,;80.84,-7.68,;79.74,-5.06,;81.08,-5.82,)|
Show InChI InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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n/an/a 2n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536429
PNG
(CHEMBL4581491)
Show SMILES COC1CCC(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)CC1 |r,wU:36.38,7.6,11.19,wD:25.26,43.45,(73.47,-11.43,;73.47,-12.97,;72.14,-13.74,;72.13,-15.28,;70.8,-16.05,;69.47,-15.27,;68.13,-16.05,;68.13,-17.59,;66.79,-18.35,;65.46,-17.59,;65.46,-16.05,;64.13,-18.35,;62.79,-17.59,;61.46,-18.35,;60.13,-17.59,;58.8,-18.35,;58.79,-19.9,;60.14,-20.67,;61.46,-19.89,;64.13,-19.89,;65.41,-20.75,;66.69,-21.6,;69.47,-18.35,;69.47,-19.89,;70.8,-17.59,;72.14,-18.35,;72.14,-19.89,;73.47,-20.67,;73.46,-22.21,;74.79,-22.98,;76.13,-22.21,;76.12,-20.66,;74.79,-19.9,;73.47,-17.59,;73.47,-16.05,;74.8,-18.35,;76.14,-17.59,;75.82,-16.16,;76.89,-15.17,;76.58,-13.75,;78.45,-15.33,;77.47,-18.35,;77.47,-19.89,;78.8,-17.58,;79.9,-18.66,;78.8,-16.04,;80.14,-16.8,;69.46,-13.74,;70.79,-12.97,)|
Show InChI InChI=1S/C37H50N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-14,24,27-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t27?,28?,29-,30-,31-,32-,37+/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536429
PNG
(CHEMBL4581491)
Show SMILES COC1CCC(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)CC1 |r,wU:36.38,7.6,11.19,wD:25.26,43.45,(73.47,-11.43,;73.47,-12.97,;72.14,-13.74,;72.13,-15.28,;70.8,-16.05,;69.47,-15.27,;68.13,-16.05,;68.13,-17.59,;66.79,-18.35,;65.46,-17.59,;65.46,-16.05,;64.13,-18.35,;62.79,-17.59,;61.46,-18.35,;60.13,-17.59,;58.8,-18.35,;58.79,-19.9,;60.14,-20.67,;61.46,-19.89,;64.13,-19.89,;65.41,-20.75,;66.69,-21.6,;69.47,-18.35,;69.47,-19.89,;70.8,-17.59,;72.14,-18.35,;72.14,-19.89,;73.47,-20.67,;73.46,-22.21,;74.79,-22.98,;76.13,-22.21,;76.12,-20.66,;74.79,-19.9,;73.47,-17.59,;73.47,-16.05,;74.8,-18.35,;76.14,-17.59,;75.82,-16.16,;76.89,-15.17,;76.58,-13.75,;78.45,-15.33,;77.47,-18.35,;77.47,-19.89,;78.8,-17.58,;79.9,-18.66,;78.8,-16.04,;80.14,-16.8,;69.46,-13.74,;70.79,-12.97,)|
Show InChI InChI=1S/C37H50N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-14,24,27-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t27?,28?,29-,30-,31-,32-,37+/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit 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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit 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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 3n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536442
PNG
(CHEMBL4570216)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:16.32,1.0,33.44,18.18,wD:5.5,46.50,21.25,(48.13,-36.86,;48.13,-38.19,;46.79,-38.97,;45.46,-38.19,;45.46,-36.65,;44.12,-38.97,;44.12,-40.51,;45.46,-41.29,;45.45,-42.83,;46.78,-43.6,;48.12,-42.83,;48.12,-41.28,;46.78,-40.51,;42.79,-38.19,;41.45,-38.97,;41.45,-40.51,;40.11,-38.2,;40.11,-36.65,;41.44,-35.88,;41.43,-34.35,;42.77,-33.58,;44.1,-34.35,;44.09,-35.89,;42.76,-36.65,;45.42,-33.59,;46.75,-34.37,;48.08,-33.61,;48.09,-32.07,;46.75,-31.3,;45.43,-32.06,;38.78,-38.97,;37.44,-38.19,;37.44,-36.65,;36.11,-38.97,;34.77,-38.19,;33.43,-38.97,;32.1,-38.2,;30.77,-38.97,;30.76,-40.51,;32.11,-41.29,;33.43,-40.51,;36.11,-40.51,;37.39,-41.37,;38.67,-42.22,;49.47,-38.97,;49.47,-40.51,;50.8,-38.19,;51.89,-39.28,;50.79,-36.64,;52.13,-37.41,)|
Show InChI InChI=1S/C39H46N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-17,26,29,31-34H,18-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,29-,31-,32-,33-,34-,39+/m0/s1
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n/an/a 3.80n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536439
PNG
(CHEMBL4581001)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:16.32,1.0,33.44,18.18,wD:5.5,46.50,21.25,(72.07,-6.39,;72.07,-7.72,;70.74,-8.5,;69.41,-7.72,;69.41,-6.18,;68.07,-8.5,;68.07,-10.04,;69.41,-10.82,;69.4,-12.36,;70.73,-13.13,;72.07,-12.36,;72.06,-10.81,;70.73,-10.04,;66.73,-7.72,;65.4,-8.5,;65.4,-10.04,;64.06,-7.73,;64.06,-6.18,;65.39,-5.41,;65.38,-3.87,;66.72,-3.11,;68.04,-3.88,;68.04,-5.42,;66.71,-6.18,;69.37,-3.12,;70.7,-3.9,;72.03,-3.14,;72.04,-1.6,;70.7,-.83,;69.37,-1.59,;62.72,-8.5,;61.39,-7.72,;61.39,-6.18,;60.06,-8.5,;58.72,-7.72,;57.38,-8.5,;56.05,-7.73,;54.72,-8.5,;54.71,-10.04,;56.06,-10.82,;57.38,-10.04,;60.06,-10.04,;61.33,-10.9,;62.62,-11.75,;73.41,-8.5,;73.41,-10.04,;74.75,-7.71,;75.84,-8.81,;74.74,-6.17,;76.08,-6.94,)|
Show InChI InChI=1S/C39H52N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-4,6-9,12-15,26,29-34H,5,10-11,16-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,29-,31-,32-,33-,34-,39+/m0/s1
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n/an/a 4.90n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 5.10n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100269
PNG
(CHEMBL3325627)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(O)=O)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C27H28N4O4/c1-5-6-25(32)22-13-28-31(18(22)4)20-9-7-19(8-10-20)29-27(35)23-14-30(15-26(33)34)24-12-17(3)16(2)11-21(23)24/h7-14H,5-6,15H2,1-4H3,(H,29,35)(H,33,34)
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n/an/a 5.10n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536431
PNG
(CHEMBL4519899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-25(2)21-30(33(44)37(3)24-48-37)40-35(46)31(22-27-15-9-5-10-16-27)41-34(45)29(20-19-26-13-7-4-8-14-26)39-36(47)32(42-43-38)23-28-17-11-6-12-18-28/h4-18,25,29-32H,19-24H2,1-3H3,(H,39,47)(H,40,46)(H,41,45)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 5.10n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit 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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit 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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100262
PNG
(CHEMBL3326906)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CCC(O)=O)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C27H28N4O4/c1-4-5-25(32)22-15-28-31(18(22)3)20-9-7-19(8-10-20)29-27(35)23-16-30(13-12-26(33)34)24-11-6-17(2)14-21(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,35)(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100245
PNG
(CHEMBL3325894)
Show SMILES CCCC(=O)c1cnn(C2CCN(CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 7.80n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536425
PNG
(CHEMBL4563298)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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n/an/a 7.80n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 8n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536448
PNG
(CHEMBL4532975)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC2CCCCC2C1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H54N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-9,12-15,26,29-35H,10-11,16-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t29?,30?,31?,32-,33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536457
PNG
(CHEMBL4555159)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])c1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H40N6O5/c1-23(2)19-27(31(42)35(3)22-46-35)37-32(43)28(20-24-13-7-4-8-14-24)38-34(45)30(26-17-11-6-12-18-26)39-33(44)29(40-41-36)21-25-15-9-5-10-16-25/h4-18,23,27-30H,19-22H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)/t27-,28-,29-,30-,35+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536458
PNG
(CHEMBL4556673)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)21-32(36(47)40(3)25-51-40)42-37(48)33(22-27-13-6-4-7-14-27)43-38(49)34(24-30-19-12-18-29-17-10-11-20-31(29)30)44-39(50)35(45-46-41)23-28-15-8-5-9-16-28/h4-20,26,32-35H,21-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536449
PNG
(CHEMBL4563141)
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/C36H48N6O5/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/h4,6-8,11-14,17-18,24,26,28-31H,5,9-10,15-16,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536450
PNG
(CHEMBL4522697)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H48N4O7/c1-25(2)19-31(35(44)38(3)24-49-38)40-37(46)33(21-26-10-13-30(47-4)14-11-26)41-36(45)32(39-34(43)23-42-15-17-48-18-16-42)22-27-9-12-28-7-5-6-8-29(28)20-27/h5-14,20,25,31-33H,15-19,21-24H2,1-4H3,(H,39,43)(H,40,46)(H,41,45)/t31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536451
PNG
(CHEMBL4528476)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C42H46N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-22,28,34-37H,23-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37-,42+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536452
PNG
(CHEMBL4574722)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-19,21,26,32-35H,20,22-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536453
PNG
(CHEMBL4587878)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C38H43N7O5/c1-24(2)18-30(34(46)38(3)23-50-38)41-35(47)31(19-25-12-6-4-7-13-25)42-36(48)32(21-27-22-40-29-17-11-10-16-28(27)29)43-37(49)33(44-45-39)20-26-14-8-5-9-15-26/h4-17,22,24,30-33,40H,18-21,23H2,1-3H3,(H,41,47)(H,42,48)(H,43,49)/t30-,31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536428
PNG
(CHEMBL4556631)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H48N4O7/c1-25(2)20-31(35(44)38(3)24-49-38)40-36(45)32(21-26-12-14-29(47-4)15-13-26)41-37(46)33(39-34(43)23-42-16-18-48-19-17-42)22-28-10-7-9-27-8-5-6-11-30(27)28/h5-15,25,31-33H,16-24H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)/t31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536458
PNG
(CHEMBL4556673)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)21-32(36(47)40(3)25-51-40)42-37(48)33(22-27-13-6-4-7-14-27)43-38(49)34(24-30-19-12-18-29-17-10-11-20-31(29)30)44-39(50)35(45-46-41)23-28-15-8-5-9-16-28/h4-20,26,32-35H,21-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536440
PNG
(CHEMBL4560006)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCC2CCCCC12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H54N6O5/c1-26(2)21-32(36(47)40(3)25-51-40)42-37(48)33(22-27-13-6-4-7-14-27)43-38(49)34(24-30-19-12-18-29-17-10-11-20-31(29)30)44-39(50)35(45-46-41)23-28-15-8-5-9-16-28/h4-9,13-16,26,29-35H,10-12,17-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t29?,30?,31?,32-,33-,34-,35-,40+/m0/s1
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n/an/a<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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536428
PNG
(CHEMBL4556631)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H48N4O7/c1-25(2)20-31(35(44)38(3)24-49-38)40-36(45)32(21-26-12-14-29(47-4)15-13-26)41-37(46)33(39-34(43)23-42-16-18-48-19-17-42)22-28-10-7-9-27-8-5-6-11-30(27)28/h5-15,25,31-33H,16-24H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)/t31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536450
PNG
(CHEMBL4522697)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H48N4O7/c1-25(2)19-31(35(44)38(3)24-49-38)40-37(46)33(21-26-10-13-30(47-4)14-11-26)41-36(45)32(39-34(43)23-42-15-17-48-18-16-42)22-27-9-12-28-7-5-6-8-29(28)20-27/h5-14,20,25,31-33H,15-19,21-24H2,1-4H3,(H,39,43)(H,40,46)(H,41,45)/t31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536451
PNG
(CHEMBL4528476)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C42H46N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-22,28,34-37H,23-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37-,42+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536453
PNG
(CHEMBL4587878)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C38H43N7O5/c1-24(2)18-30(34(46)38(3)23-50-38)41-35(47)31(19-25-12-6-4-7-13-25)42-36(48)32(21-27-22-40-29-17-11-10-16-28(27)29)43-37(49)33(44-45-39)20-26-14-8-5-9-15-26/h4-17,22,24,30-33,40H,18-21,23H2,1-3H3,(H,41,47)(H,42,48)(H,43,49)/t30-,31-,32-,33-,38+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536437
PNG
(CHEMBL4588350)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536452
PNG
(CHEMBL4574722)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H44N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-19,21,26,32-35H,20,22-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
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n/an/a<10n/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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536437
PNG
(CHEMBL4588350)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536430
PNG
(CHEMBL4543267)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CC2CCC1C2)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,THB:20:21:27:24.25|
Show InChI InChI=1S/C37H48N6O5/c1-23(2)16-29(33(44)37(3)22-48-37)39-34(45)30(19-24-10-6-4-7-11-24)40-35(46)31(21-28-18-26-14-15-27(28)17-26)41-36(47)32(42-43-38)20-25-12-8-5-9-13-25/h4-13,23,26-32H,14-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t26?,27?,28?,29-,30-,31-,32-,37+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536444
PNG
(CHEMBL4562003)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C39H40N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-21,26,32-34H,22-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,32-,33-,34-,39+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536436
PNG
(CHEMBL4556581)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C40H50N4O7/c1-27(2)22-33(37(46)40(3)26-51-40)42-39(48)35(24-29-12-16-32(49-4)17-13-29)43-38(47)34(41-36(45)25-44-18-20-50-21-19-44)23-28-10-14-31(15-11-28)30-8-6-5-7-9-30/h5-17,27,33-35H,18-26H2,1-4H3,(H,41,45)(H,42,48)(H,43,47)/t33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536457
PNG
(CHEMBL4555159)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])c1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H40N6O5/c1-23(2)19-27(31(42)35(3)22-46-35)37-32(43)28(20-24-13-7-4-8-14-24)38-34(45)30(26-17-11-6-12-18-26)39-33(44)29(40-41-36)21-25-15-9-5-10-16-25/h4-18,23,27-30H,19-22H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)/t27-,28-,29-,30-,35+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50536436
PNG
(CHEMBL4556581)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C40H50N4O7/c1-27(2)22-33(37(46)40(3)26-51-40)42-39(48)35(24-29-12-16-32(49-4)17-13-29)43-38(47)34(41-36(45)25-44-18-20-50-21-19-44)23-28-10-14-31(15-11-28)30-8-6-5-7-9-30/h5-17,27,33-35H,18-26H2,1-4H3,(H,41,45)(H,42,48)(H,43,47)/t33-,34-,35-,40+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2Z60SJ2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100194
PNG
(CHEMBL3325804)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4cc(C)on4)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)
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n/an/a 11n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50100197
PNG
(CHEMBL3325803)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H38ClN7O4/c1-5-6-30(42)27-18-35-41(22(27)2)25-10-8-24(9-11-25)36-33(45)28-19-40(29-12-7-23(34)17-26(28)29)21-32(44)39-15-13-38(14-16-39)20-31(43)37(3)4/h7-12,17-19H,5-6,13-16,20-21H2,1-4H3,(H,36,45)
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n/an/a 11n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
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