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Compile Data Set for Download or QSAR

Found 153 hits of ic50 data for polymerid = 50003479   
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))
BDBM50259656
PNG
(CHEMBL4089402)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1)B(O)O
Show InChI InChI=1/C24H32BN3O4/c1-17(2)14-22(25(31)32)27-23(29)21(15-18-8-4-3-5-9-18)26-24(30)28-13-12-19-10-6-7-11-20(19)16-28/h3-11,17,21-22,31-32H,12-16H2,1-2H3,(H,26,30)(H,27,29)/t21-,22-/s2
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/s2
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n/an/a 30n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human HL60 cells using Z-nLPnLDaminoluciferin as substrate pretreated for 2 hrs followed by sub...


Bioorg Med Chem 25: 4031-4044 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/s2
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome component C5


(Homo sapiens (Human))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome component C5


(Homo sapiens (Human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/s2
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n/an/a 44n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of 20S human proteasome assessed as Z-nLPnLD-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated...


Bioorg Med Chem Lett 26: 2801-2805 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.067
BindingDB Entry DOI: 10.7270/Q2N018GG
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/s2
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n/an/a 53n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome component C5


(Homo sapiens (Human))
BDBM50430967
PNG
(CHEMBL2337848)
Show SMILES CC[C@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H](NC(=O)[C@H](CC(N)=O)CC1=O)C(=O)N\C=C/C
Show InChI InChI=1/C34H39N5O10/c1-4-11-36-31(46)27-29(44)34(49)21-8-6-7-19(26(21)39-33(34)48)20-12-17(9-10-23(20)40)13-22(37-32(47)28(43)16(3)5-2)24(41)14-18(15-25(35)42)30(45)38-27/h4,6-12,16,18,22,27,29,40,44,49H,5,13-15H2,1-3H3,(H2,35,42)(H,36,46)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t16-,18-,22-,27-,29+,34-/s2
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n/an/a 60n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259655
PNG
(CHEMBL4080306)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccccc1)B(O)O
Show InChI InChI=1/C23H32BN3O4/c1-16(2)14-21(24(30)31)27-22(28)20(15-18-10-6-4-7-11-18)26-23(29)25-17(3)19-12-8-5-9-13-19/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3,(H,27,28)(H2,25,26,29)/t17-,20+,21+/s2
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n/an/a 70n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259658
PNG
(CHEMBL4096371)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccco1)B(O)O
Show InChI InChI=1/C20H28BN3O5/c1-14(2)11-18(21(27)28)24-19(25)17(12-15-7-4-3-5-8-15)23-20(26)22-13-16-9-6-10-29-16/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,24,25)(H2,22,23,26)/t17-,18-/s2
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259647
PNG
(CHEMBL4100727)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(F)c(F)c1)B(O)O
Show InChI InChI=1/C22H28BF2N3O4/c1-14(2)10-20(23(31)32)28-21(29)19(12-15-6-4-3-5-7-15)27-22(30)26-13-16-8-9-17(24)18(25)11-16/h3-9,11,14,19-20,31-32H,10,12-13H2,1-2H3,(H,28,29)(H2,26,27,30)/t19-,20-/s2
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n/an/a 110n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259646
PNG
(CHEMBL4075225)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc2ccccc2c1)B(O)O
Show InChI InChI=1/C26H32BN3O4/c1-18(2)14-24(27(33)34)30-25(31)23(16-19-8-4-3-5-9-19)29-26(32)28-17-20-12-13-21-10-6-7-11-22(21)15-20/h3-13,15,18,23-24,33-34H,14,16-17H2,1-2H3,(H,30,31)(H2,28,29,32)/t23-,24-/s2
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n/an/a 120n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/s2
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n/an/a 120n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/s2
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n/an/a 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Ac-nLPnLD-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome component C5


(Homo sapiens (Human))
BDBM50259642
PNG
(CHEMBL4077037)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C)c1C)B(O)O
Show InChI InChI=1/C24H34BN3O4/c1-16(2)13-22(25(31)32)28-23(29)21(14-19-10-6-5-7-11-19)27-24(30)26-15-20-12-8-9-17(3)18(20)4/h5-12,16,21-22,31-32H,13-15H2,1-4H3,(H,28,29)(H2,26,27,30)/t21-,22-/s2
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n/an/a 130n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259659
PNG
(CHEMBL4076838)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(c1)[N+]([O-])=O)B(O)O
Show InChI InChI=1/C22H29BN4O6/c1-15(2)11-20(23(30)31)26-21(28)19(13-16-7-4-3-5-8-16)25-22(29)24-14-17-9-6-10-18(12-17)27(32)33/h3-10,12,15,19-20,30-31H,11,13-14H2,1-2H3,(H,26,28)(H2,24,25,29)/t19-,20-/s2
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n/an/a 140n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50307480
PNG
(CHEMBL579296 | Pyrazine-2-carboxylic acid(1-[3-met...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1/C31H37BF6N4O4/c1-16(2)8-25(32-45-24-14-18-13-23(28(18,3)4)29(24,5)46-32)42-26(43)21(41-27(44)22-15-39-6-7-40-22)11-17-9-19(30(33,34)35)12-20(10-17)31(36,37)38/h6-7,9-10,12,15-16,18,21,23-25H,8,11,13-14H2,1-5H3,(H,41,44)(H,42,43)/t18-,21-,23-,24?,25-,29-/s2
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n/an/a 160n/an/an/an/an/an/a



Gorlaeus Laboratories

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 component C5


(Homo sapiens (Human))
BDBM50259645
PNG
(CHEMBL4070336)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(c1)-c1ccccc1)B(O)O
Show InChI InChI=1/C28H34BN3O4/c1-20(2)16-26(29(35)36)32-27(33)25(18-21-10-5-3-6-11-21)31-28(34)30-19-22-12-9-15-24(17-22)23-13-7-4-8-14-23/h3-15,17,20,25-26,35-36H,16,18-19H2,1-2H3,(H,32,33)(H2,30,31,34)/t25-,26-/s2
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n/an/a 240n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259649
PNG
(CHEMBL4077282)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O
Show InChI InChI=1/C23H32BN3O4/c1-17(2)15-21(24(30)31)27-22(28)20(16-19-11-7-4-8-12-19)26-23(29)25-14-13-18-9-5-3-6-10-18/h3-12,17,20-21,30-31H,13-16H2,1-2H3,(H,27,28)(H2,25,26,29)/t20-,21-/s2
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n/an/a 240n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259660
PNG
(CHEMBL4075298)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1)B(O)O
Show InChI InChI=1/C23H32BN3O4/c1-16(2)14-21(24(30)31)27-22(28)20(15-18-10-6-4-7-11-18)26-23(29)25-17(3)19-12-8-5-9-13-19/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3,(H,27,28)(H2,25,26,29)/t17-,20-,21-/s2
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n/an/a 280n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50370717
PNG
(EPOXOMYCIN | Epoxomicin)
Show SMILES CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
Show InChI InChI=1/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)
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n/an/a 300n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of 20s proteasome beta-1 subunit in HEK293 cells using Z-nLPnLD-Glo as substrate incubated for 2 hrs prior to substra...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430968
PNG
(CHEMBL2337847)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1/C128H172N18O22/c1-91(119(157)143-107(121(159)137-87-95-45-15-3-16-46-95)85-127(165)101-53-31-33-55-103(101)145-125(127)163)139-123(161)105(83-93-67-71-99(72-68-93)167-89-97-49-19-5-20-50-97)141-117(155)65-29-13-43-81-133-113(151)61-25-9-39-77-129-109(147)57-23-7-37-75-131-111(149)59-27-11-41-79-135-115(153)63-35-36-64-116(154)136-80-42-12-28-60-112(150)132-76-38-8-24-58-110(148)130-78-40-10-26-62-114(152)134-82-44-14-30-66-118(156)142-106(84-94-69-73-100(74-70-94)168-90-98-51-21-6-22-52-98)124(162)140-92(2)120(158)144-108(122(160)138-88-96-47-17-4-18-48-96)86-128(166)102-54-32-34-56-104(102)146-126(128)164/h3-6,15-22,31-34,45-56,67-74,91-92,105-108,165-166H,7-14,23-30,35-44,57-66,75-90H2,1-2H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,155)(H,142,156)(H,143,157)(H,144,158)(H,145,163)(H,146,164)/t91-,92-,105-,106-,107-,108-,127+,128+/s2
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n/an/a 336n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430969
PNG
(CHEMBL2337846)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1/C116H150N16O20/c1-81(107(141)129-97(109(143)123-77-85-39-13-3-14-40-85)75-115(149)91-47-27-29-49-93(91)131-113(115)147)125-111(145)95(73-83-59-63-89(64-60-83)151-79-87-43-17-5-18-44-87)127-105(139)57-25-11-37-71-119-101(135)53-21-7-33-67-117-99(133)51-23-9-35-69-121-103(137)55-31-32-56-104(138)122-70-36-10-24-52-100(134)118-68-34-8-22-54-102(136)120-72-38-12-26-58-106(140)128-96(74-84-61-65-90(66-62-84)152-80-88-45-19-6-20-46-88)112(146)126-82(2)108(142)130-98(110(144)124-78-86-41-15-4-16-42-86)76-116(150)92-48-28-30-50-94(92)132-114(116)148/h3-6,13-20,27-30,39-50,59-66,81-82,95-98,149-150H,7-12,21-26,31-38,51-58,67-80H2,1-2H3,(H,117,133)(H,118,134)(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,139)(H,128,140)(H,129,141)(H,130,142)(H,131,147)(H,132,148)/t81-,82-,95-,96-,97-,98-,115+,116+/s2
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n/an/a 346n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444889
PNG
(CHEMBL3099620)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C(=C(C1CCCCC1)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C42H56N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5,7-8,15-16,19-26,36H,1-4,6,9-14,17-18,27-34H2
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n/an/a 350n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444888
PNG
(CHEMBL3099621)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2
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n/an/a 370n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C(=Cc1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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n/an/a 370n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430961
PNG
(CHEMBL2337844)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1/C104H128N14O18/c1-71(95(125)115-87(97(127)109-67-75-33-11-3-12-34-75)65-103(133)81-41-23-25-43-83(81)117-101(103)131)111-99(129)85(63-73-51-55-79(56-52-73)135-69-77-37-15-5-16-38-77)113-93(123)49-22-10-32-62-107-91(121)47-20-8-30-60-105-89(119)45-19-7-29-59-106-90(120)46-21-9-31-61-108-92(122)48-27-28-50-94(124)114-86(64-74-53-57-80(58-54-74)136-70-78-39-17-6-18-40-78)100(130)112-72(2)96(126)116-88(98(128)110-68-76-35-13-4-14-36-76)66-104(134)82-42-24-26-44-84(82)118-102(104)132/h3-6,11-18,23-26,33-44,51-58,71-72,85-88,133-134H,7-10,19-22,27-32,45-50,59-70H2,1-2H3,(H,105,119)(H,106,120)(H,107,121)(H,108,122)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,123)(H,114,124)(H,115,125)(H,116,126)(H,117,131)(H,118,132)/t71-,72-,85-,86-,87-,88-,103+,104+/s2
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n/an/a 370n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/s2
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n/an/a 430n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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n/an/a 430n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50307479
PNG
(CHEMBL592161 | Pyrazine-2-carboxylic acid(1-[3-met...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1/C29H34BF5N4O4/c1-13(2)8-20(30-42-19-10-14-9-18(28(14,3)4)29(19,5)43-30)39-26(40)16(38-27(41)17-12-36-6-7-37-17)11-15-21(31)23(33)25(35)24(34)22(15)32/h6-7,12-14,16,18-20H,8-11H2,1-5H3,(H,38,41)(H,39,40)/t14-,16-,18-,19?,20-,29-/s2
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n/an/a 440n/an/an/an/an/an/a



Gorlaeus Laboratories

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 component C5


(Homo sapiens (Human))
BDBM50430970
PNG
(CHEMBL2337845)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1/C110H139N15O19/c1-76(101(133)122-92(103(135)116-72-80-36-12-3-13-37-80)70-109(141)86-44-25-27-46-88(86)124-107(109)139)118-105(137)90(68-78-55-59-84(60-56-78)143-74-82-40-16-5-17-41-82)120-99(131)53-24-11-35-67-114-97(129)51-22-9-33-65-112-95(127)49-20-7-31-63-111-94(126)48-21-8-32-64-113-96(128)50-23-10-34-66-115-98(130)52-29-30-54-100(132)121-91(69-79-57-61-85(62-58-79)144-75-83-42-18-6-19-43-83)106(138)119-77(2)102(134)123-93(104(136)117-73-81-38-14-4-15-39-81)71-110(142)87-45-26-28-47-89(87)125-108(110)140/h3-6,12-19,25-28,36-47,55-62,76-77,90-93,141-142H,7-11,20-24,29-35,48-54,63-75H2,1-2H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,131)(H,121,132)(H,122,133)(H,123,134)(H,124,139)(H,125,140)/t76-,77-,90-,91-,92-,93-,109+,110+/s2
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n/an/a 448n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259644
PNG
(CHEMBL4091983)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1/C22H28BCl2N3O4/c1-14(2)10-20(23(31)32)28-21(29)19(11-15-6-4-3-5-7-15)27-22(30)26-13-16-12-17(24)8-9-18(16)25/h3-9,12,14,19-20,31-32H,10-11,13H2,1-2H3,(H,28,29)(H2,26,27,30)/t19-,20-/s2
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n/an/a 480n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430962
PNG
(CHEMBL2337843)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/s2
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n/an/a 590n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/s2
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n/an/a 600n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of postacid activity of 20s proteasome beta-1 subunit in HEK293 cells using Z-nLPnLD-Glo as substrate incubated for 2 hrs prior to substra...


J Med Chem 56: 3367-78 (2013)


Article DOI: 10.1021/jm4002007
BindingDB Entry DOI: 10.7270/Q2F19135
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50449237
PNG
(CHEMBL3128141)
Show SMILES CC1(C)OC(=O)c2c1ccnc2NCc1ccccc1
Show InChI InChI=1S/C16H16N2O2/c1-16(2)12-8-9-17-14(13(12)15(19)20-16)18-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 600n/an/an/an/an/an/a



Yerevan State University

Curated by ChEMBL


Assay Description
Inhibition of 20s immunoproteasome beta 1 subunit caspase-like activity in human blood monocytes using Z-LLE-betaNA as substrate at 2 uM preincubated...


Bioorg Med Chem Lett 24: 1571-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.072
BindingDB Entry DOI: 10.7270/Q2T72JXZ
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444906
PNG
(CHEMBL3099636)
Show SMILES C(CN1CCCCCC1)Oc1ccc(Cc2ccc(OCCN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C29H42N2O2/c1-2-6-18-30(17-5-1)21-23-32-28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)33-24-22-31-19-7-3-4-8-20-31/h9-16H,1-8,17-25H2
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n/an/a 630n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430989
PNG
(CHEMBL2337881)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)c1ccc2ccccc2c1)C=C
Show InChI InChI=1/C26H30N2O4/c1-4-15(3)22-23(32-26(22)31)25(30)28-21-14-19(21)13-20(5-2)27-24(29)18-11-10-16-8-6-7-9-17(16)12-18/h5-12,15,19-23H,2,4,13-14H2,1,3H3,(H,27,29)(H,28,30)/t15-,19+,20+,21-,22-,23+/s2
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n/an/a 670n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Ac-nLPnLD-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50430991
PNG
(CHEMBL2338308)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1)C=C
Show InChI InChI=1/C29H35N3O5/c1-5-16(3)24-25(37-29(24)36)28(35)32-23-15-21(23)14-22(6-2)31-26(33)17(4)30-27(34)20-12-11-18-9-7-8-10-19(18)13-20/h6-13,16-17,21-25H,2,5,14-15H2,1,3-4H3,(H,30,34)(H,31,33)(H,32,35)/t16-,17-,21+,22+,23-,24-,25+/s2
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n/an/a 690n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Ac-nLPnLD-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444901
PNG
(CHEMBL3099638)
Show SMILES CC(C)(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C31H46N2O2/c1-31(2,27-11-15-29(16-12-27)34-25-23-32-19-7-3-4-8-20-32)28-13-17-30(18-14-28)35-26-24-33-21-9-5-6-10-22-33/h11-18H,3-10,19-26H2,1-2H3
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n/an/a 770n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444885
PNG
(CHEMBL3099637)
Show SMILES CC(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H44N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17,26H,2-9,18-25H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259643
PNG
(CHEMBL4065491)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cnccn1)B(O)O
Show InChI InChI=1/C20H28BN5O4/c1-14(2)10-18(21(29)30)26-19(27)17(11-15-6-4-3-5-7-15)25-20(28)24-13-16-12-22-8-9-23-16/h3-9,12,14,17-18,29-30H,10-11,13H2,1-2H3,(H,26,27)(H2,24,25,28)/t17-,18-/s2
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n/an/a 790n/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)

More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444903
PNG
(CHEMBL3099631)
Show SMILES CCC(CC)=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C34H50N2O2/c1-3-29(4-2)34(30-13-17-32(18-14-30)37-27-25-35-21-9-5-6-10-22-35)31-15-19-33(20-16-31)38-28-26-36-23-11-7-8-12-24-36/h13-20H,3-12,21-28H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444907
PNG
(CHEMBL3099623)
Show SMILES CC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C37H48N2O2/c1-31(32-13-7-6-8-14-32)37(33-15-19-35(20-16-33)40-29-27-38-23-9-2-3-10-24-38)34-17-21-36(22-18-34)41-30-28-39-25-11-4-5-12-26-39/h6-8,13-22H,2-5,9-12,23-30H2,1H3
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n/an/a 870n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444898
PNG
(CHEMBL3099625)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C35H50N2O2/c1-2-9-23-36(22-8-1)26-28-38-33-18-14-31(15-19-33)35(30-12-6-5-7-13-30)32-16-20-34(21-17-32)39-29-27-37-24-10-3-4-11-25-37/h14-21H,1-13,22-29H2
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n/an/a 890n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444905
PNG
(CHEMBL3099635)
Show SMILES C=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H42N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17H,1-9,18-25H2
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n/an/a 910n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444902
PNG
(CHEMBL3099633)
Show SMILES CCC=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C32H46N2O2/c1-2-11-32(28-12-16-30(17-13-28)35-26-24-33-20-7-3-4-8-21-33)29-14-18-31(19-15-29)36-27-25-34-22-9-5-6-10-23-34/h11-19H,2-10,20-27H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444904
PNG
(CHEMBL3099622)
Show SMILES CCCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C39H52N2O2/c1-2-14-38(33-15-8-7-9-16-33)39(34-17-21-36(22-18-34)42-31-29-40-25-10-3-4-11-26-40)35-19-23-37(24-20-35)43-32-30-41-27-12-5-6-13-28-41/h7-9,15-24H,2-6,10-14,25-32H2,1H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444899
PNG
(CHEMBL3099640)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C1(CCCCC1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C34H50N2O2/c1-2-9-23-35(22-8-1)26-28-37-32-16-12-30(13-17-32)34(20-6-5-7-21-34)31-14-18-33(19-15-31)38-29-27-36-24-10-3-4-11-25-36/h12-19H,1-11,20-29H2
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n/an/a 1.08E+3n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444886
PNG
(CHEMBL3099632)
Show SMILES CC(C)=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C32H46N2O2/c1-27(2)32(28-11-15-30(16-12-28)35-25-23-33-19-7-3-4-8-20-33)29-13-17-31(18-14-29)36-26-24-34-21-9-5-6-10-22-34/h11-18H,3-10,19-26H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50259648
PNG
(CHEMBL4105585)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1=O)B(O)O
Show InChI InChI=1/C24H30BN3O5/c1-16(2)14-21(25(32)33)27-22(29)20(15-17-8-4-3-5-9-17)26-24(31)28-13-12-18-10-6-7-11-19(18)23(28)30/h3-11,16,20-21,32-33H,12-15H2,1-2H3,(H,26,31)(H,27,29)/t20-,21-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.24E+3n/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)

More data for this
Ligand-Target Pair
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