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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with all data for entry = 50017800   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410903
PNG
(CHEMBL207598)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(31(45)35-41-40-34(51-35)24-12-14-25(15-13-24)43(7)8)38-33(47)29(20-50-9)39-32(46)28(19-30(44)37-21-36(4,5)6)42-52(48,49)26-16-10-23(3)11-17-26/h10-17,22,27-29,42H,18-21H2,1-9H3,(H,37,44)(H,38,47)(H,39,46)/t27-,28-,29-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410898
PNG
(CHEMBL205757)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C35H49N7O7S/c1-21(2)18-27(30(44)34-40-39-33(49-34)24-12-14-25(15-13-24)42(8)9)38-31(45)23(4)37-32(46)28(19-29(43)36-20-35(5,6)7)41-50(47,48)26-16-10-22(3)11-17-26/h10-17,21,23,27-28,41H,18-20H2,1-9H3,(H,36,43)(H,37,46)(H,38,45)/t23-,27-,28-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410901
PNG
(CHEMBL206413)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1cccc(C)c1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)16-25(28(41)32-38-37-31(46-32)23-13-9-8-10-14-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-11-12-21(3)17-24/h8-15,17,20,22,25-26,39H,16,18-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410904
PNG
(CHEMBL377532)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H46N6O8S/c1-21(2)17-25(29(42)33-39-38-32(48-33)23-11-9-8-10-12-23)36-31(44)27(19-47-7)37-30(43)26(18-28(41)35-20-34(4,5)6)40-49(45,46)24-15-13-22(3)14-16-24/h8-16,21,25-27,40H,17-20H2,1-7H3,(H,35,41)(H,36,44)(H,37,43)/t25-,26-,27-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410899
PNG
(CHEMBL383674)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)17-25(28(41)32-38-37-31(46-32)23-11-9-8-10-12-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-13-21(3)14-16-24/h8-16,20,22,25-26,39H,17-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50069984
PNG
((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O
Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(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=1S/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-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410906
PNG
(CHEMBL207160)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(C)(=O)=O)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C27H40N6O7S/c1-16(2)13-19(22(35)26-32-31-25(40-26)18-11-9-8-10-12-18)30-23(36)17(3)29-24(37)20(33-41(7,38)39)14-21(34)28-15-27(4,5)6/h8-12,16-17,19-20,33H,13-15H2,1-7H3,(H,28,34)(H,29,37)(H,30,36)/t17-,19-,20-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410900
PNG
(CHEMBL207425)
Show SMILES COC[C@H](NC(=O)[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C35H41N5O8S/c1-23(2)19-28(31(41)35-39-38-34(48-35)26-13-9-6-10-14-26)36-32(42)29(21-46-4)37-33(43)30(22-47-20-25-11-7-5-8-12-25)40-49(44,45)27-17-15-24(3)16-18-27/h5-18,23,28-30,40H,19-22H2,1-4H3,(H,36,42)(H,37,43)/t28-,29-,30-/m0/s1
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32n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
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38n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410907
PNG
(CHEMBL437311)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COCc1ccccc1C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C35H41N5O7S/c1-22(2)19-29(31(41)35-39-38-34(47-35)26-12-7-6-8-13-26)37-32(42)25(5)36-33(43)30(21-46-20-27-14-10-9-11-24(27)4)40-48(44,45)28-17-15-23(3)16-18-28/h6-18,22,25,29-30,40H,19-21H2,1-5H3,(H,36,43)(H,37,42)/t25-,29-,30-/m0/s1
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45n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410902
PNG
(CHEMBL205687)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C31H40N6O7S/c1-19-13-15-22(16-14-19)45(42,43)37-23(17-24(38)32-18-30(3,4)5)27(41)33-20(2)26(40)34-31(6,7)25(39)29-36-35-28(44-29)21-11-9-8-10-12-21/h8-16,20,23,37H,17-18H2,1-7H3,(H,32,38)(H,33,41)(H,34,40)/t20-,23-/m0/s1
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130n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410908
PNG
(CHEMBL381931)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COCc1cccc(Cl)c1)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H38ClN5O7S/c1-21(2)17-28(30(41)34-39-38-33(47-34)25-10-6-5-7-11-25)37-31(42)23(4)36-32(43)29(20-46-19-24-9-8-12-26(35)18-24)40-48(44,45)27-15-13-22(3)14-16-27/h5-16,18,21,23,28-29,40H,17,19-20H2,1-4H3,(H,36,43)(H,37,42)/t23-,28-,29-/m0/s1
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140n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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=1S/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-/m0/s1
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330n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
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=1S/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-/m0/s1
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470n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410905
PNG
(CHEMBL379476)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COCc1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C35H41N5O7S/c1-22(2)19-29(31(41)35-39-38-34(47-35)27-9-7-6-8-10-27)37-32(42)25(5)36-33(43)30(21-46-20-26-15-11-23(3)12-16-26)40-48(44,45)28-17-13-24(4)14-18-28/h6-18,22,25,29-30,40H,19-21H2,1-5H3,(H,36,43)(H,37,42)/t25-,29-,30-/m0/s1
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500n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410909
PNG
(CHEMBL207591)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C32H50N4O8/c1-9-21(4)27(36-31(42)43-19-23-13-11-10-12-14-23)30(41)35-25(15-16-26(38)44-32(6,7)8)29(40)33-22(5)28(39)34-24(18-37)17-20(2)3/h10-14,18,20-22,24-25,27H,9,15-17,19H2,1-8H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)/t21-,22-,24-,25-,27-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410909
PNG
(CHEMBL207591)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C32H50N4O8/c1-9-21(4)27(36-31(42)43-19-23-13-11-10-12-14-23)30(41)35-25(15-16-26(38)44-32(6,7)8)29(40)33-22(5)28(39)34-24(18-37)17-20(2)3/h10-14,18,20-22,24-25,27H,9,15-17,19H2,1-8H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)/t21-,22-,24-,25-,27-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50069984
PNG
((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O
Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
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4.80E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410900
PNG
(CHEMBL207425)
Show SMILES COC[C@H](NC(=O)[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C35H41N5O8S/c1-23(2)19-28(31(41)35-39-38-34(48-35)26-13-9-6-10-14-26)36-32(42)29(21-46-4)37-33(43)30(22-47-20-25-11-7-5-8-12-25)40-49(44,45)27-17-15-24(3)16-18-27/h5-18,23,28-30,40H,19-22H2,1-4H3,(H,36,42)(H,37,43)/t28-,29-,30-/m0/s1
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5.10E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50069984
PNG
((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O
Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410898
PNG
(CHEMBL205757)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C35H49N7O7S/c1-21(2)18-27(30(44)34-40-39-33(49-34)24-12-14-25(15-13-24)42(8)9)38-31(45)23(4)37-32(46)28(19-29(43)36-20-35(5,6)7)41-50(47,48)26-16-10-22(3)11-17-26/h10-17,21,23,27-28,41H,18-20H2,1-9H3,(H,36,43)(H,37,46)(H,38,45)/t23-,27-,28-/m0/s1
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2.90E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410898
PNG
(CHEMBL205757)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C35H49N7O7S/c1-21(2)18-27(30(44)34-40-39-33(49-34)24-12-14-25(15-13-24)42(8)9)38-31(45)23(4)37-32(46)28(19-29(43)36-20-35(5,6)7)41-50(47,48)26-16-10-22(3)11-17-26/h10-17,21,23,27-28,41H,18-20H2,1-9H3,(H,36,43)(H,37,46)(H,38,45)/t23-,27-,28-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410899
PNG
(CHEMBL383674)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)17-25(28(41)32-38-37-31(46-32)23-11-9-8-10-12-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-13-21(3)14-16-24/h8-16,20,22,25-26,39H,17-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410903
PNG
(CHEMBL207598)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(31(45)35-41-40-34(51-35)24-12-14-25(15-13-24)43(7)8)38-33(47)29(20-50-9)39-32(46)28(19-30(44)37-21-36(4,5)6)42-52(48,49)26-16-10-23(3)11-17-26/h10-17,22,27-29,42H,18-21H2,1-9H3,(H,37,44)(H,38,47)(H,39,46)/t27-,28-,29-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410903
PNG
(CHEMBL207598)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(31(45)35-41-40-34(51-35)24-12-14-25(15-13-24)43(7)8)38-33(47)29(20-50-9)39-32(46)28(19-30(44)37-21-36(4,5)6)42-52(48,49)26-16-10-23(3)11-17-26/h10-17,22,27-29,42H,18-21H2,1-9H3,(H,37,44)(H,38,47)(H,39,46)/t27-,28-,29-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410902
PNG
(CHEMBL205687)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C31H40N6O7S/c1-19-13-15-22(16-14-19)45(42,43)37-23(17-24(38)32-18-30(3,4)5)27(41)33-20(2)26(40)34-31(6,7)25(39)29-36-35-28(44-29)21-11-9-8-10-12-21/h8-16,20,23,37H,17-18H2,1-7H3,(H,32,38)(H,33,41)(H,34,40)/t20-,23-/m0/s1
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>4.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410897
PNG
(CHEMBL206525)
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#N
Show InChI InChI=1S/C26H40N4O4/c1-17(2)12-21(15-27)28-24(31)22(13-18(3)4)29-25(32)23(14-19(5)6)30-26(33)34-16-20-10-8-7-9-11-20/h7-11,17-19,21-23H,12-14,16H2,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t21-,22-,23-/m0/s1
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>4.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410901
PNG
(CHEMBL206413)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1cccc(C)c1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)16-25(28(41)32-38-37-31(46-32)23-13-9-8-10-14-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-11-12-21(3)17-24/h8-15,17,20,22,25-26,39H,16,18-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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>4.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410902
PNG
(CHEMBL205687)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C31H40N6O7S/c1-19-13-15-22(16-14-19)45(42,43)37-23(17-24(38)32-18-30(3,4)5)27(41)33-20(2)26(40)34-31(6,7)25(39)29-36-35-28(44-29)21-11-9-8-10-12-21/h8-16,20,23,37H,17-18H2,1-7H3,(H,32,38)(H,33,41)(H,34,40)/t20-,23-/m0/s1
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>4.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410901
PNG
(CHEMBL206413)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1cccc(C)c1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)16-25(28(41)32-38-37-31(46-32)23-13-9-8-10-14-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-11-12-21(3)17-24/h8-15,17,20,22,25-26,39H,16,18-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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>4.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
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>9.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410904
PNG
(CHEMBL377532)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H46N6O8S/c1-21(2)17-25(29(42)33-39-38-32(48-33)23-11-9-8-10-12-23)36-31(44)27(19-47-7)37-30(43)26(18-28(41)35-20-34(4,5)6)40-49(45,46)24-15-13-22(3)14-16-24/h8-16,21,25-27,40H,17-20H2,1-7H3,(H,35,41)(H,36,44)(H,37,43)/t25-,26-,27-/m0/s1
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>9.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410904
PNG
(CHEMBL377532)
Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H46N6O8S/c1-21(2)17-25(29(42)33-39-38-32(48-33)23-11-9-8-10-12-23)36-31(44)27(19-47-7)37-30(43)26(18-28(41)35-20-34(4,5)6)40-49(45,46)24-15-13-22(3)14-16-24/h8-16,21,25-27,40H,17-20H2,1-7H3,(H,35,41)(H,36,44)(H,37,43)/t25-,26-,27-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410899
PNG
(CHEMBL383674)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C33H44N6O7S/c1-20(2)17-25(28(41)32-38-37-31(46-32)23-11-9-8-10-12-23)36-29(42)22(4)35-30(43)26(18-27(40)34-19-33(5,6)7)39-47(44,45)24-15-13-21(3)14-16-24/h8-16,20,22,25-26,39H,17-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,42)/t22-,25-,26-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
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>9.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens)
BDBM50410900
PNG
(CHEMBL207425)
Show SMILES COC[C@H](NC(=O)[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C35H41N5O8S/c1-23(2)19-28(31(41)35-39-38-34(48-35)26-13-9-6-10-14-26)36-32(42)29(21-46-4)37-33(43)30(22-47-20-25-11-7-5-8-12-25)40-49(44,45)27-17-15-24(3)16-18-27/h5-18,23,28-30,40H,19-22H2,1-4H3,(H,36,42)(H,37,43)/t28-,29-,30-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186686
PNG
(CHEMBL204992 | benzenesulfonyl-Glu(OtBu)-Ser-LeuVS...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C26H41N3O9S2/c1-18(2)16-19(14-15-39(6,34)35)27-25(33)22(17-30)28-24(32)21(12-13-23(31)38-26(3,4)5)29-40(36,37)20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,29-30H,12-13,16-17H2,1-6H3,(H,27,33)(H,28,32)/b15-14+/t19-,21+,22+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186721
PNG
(CHEMBL382203 | Cbz-Ile-NeopentylAsn-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H55N5O8S/c1-10-23(4)29(39-33(44)47-20-25-14-12-11-13-15-25)32(43)38-27(19-28(40)35-21-34(6,7)8)31(42)36-24(5)30(41)37-26(18-22(2)3)16-17-48(9,45)46/h11-17,22-24,26-27,29H,10,18-21H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)(H,39,44)/t23-,24-,26+,27-,29-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186710
PNG
(CHEMBL207016 | pTosyl-Glu(OtBu)-Ala-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C27H43N3O8S2/c1-18(2)17-21(15-16-39(8,34)35)29-25(32)20(4)28-26(33)23(13-14-24(31)38-27(5,6)7)30-40(36,37)22-11-9-19(3)10-12-22/h9-12,15-16,18,20-21,23,30H,13-14,17H2,1-8H3,(H,28,33)(H,29,32)/b16-15+/t20-,21+,23-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186697
PNG
(CHEMBL381735 | benzyl (2S,3S)-3-methyl-1-((S)-1-((...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)(C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C35H57N5O8S/c1-10-24(5)30(39-34(45)48-22-26-15-13-12-14-16-26)33(44)38-28(17-18-29(41)40-35(7,8)11-2)32(43)36-25(6)31(42)37-27(21-23(3)4)19-20-49(9,46)47/h12-16,19-20,23-25,27-28,30H,10-11,17-18,21-22H2,1-9H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H,40,41)/t24-,25-,27+,28-,30-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186709
PNG
(CHEMBL207162 | Cbz-Ile-Glu(OtBu)-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H54N4O9S/c1-10-23(4)29(38-33(43)46-21-25-14-12-11-13-15-25)32(42)37-27(16-17-28(39)47-34(6,7)8)31(41)35-24(5)30(40)36-26(20-22(2)3)18-19-48(9,44)45/h11-15,18-19,22-24,26-27,29H,10,16-17,20-21H2,1-9H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)/t23-,24-,26+,27-,29-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186712
PNG
(CHEMBL206206 | Cbz-Glu(OtBu)-Ser-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O
Show InChI InChI=1S/C28H43N3O9S/c1-19(2)16-21(14-15-41(6,37)38)29-26(35)23(17-32)30-25(34)22(12-13-24(33)40-28(3,4)5)31-27(36)39-18-20-10-8-7-9-11-20/h7-11,14-15,19,21-23,32H,12-13,16-18H2,1-6H3,(H,29,35)(H,30,34)(H,31,36)/t21-,22+,23+/m1/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186706
PNG
(CHEMBL438612 | Cbz-Ile-t-ButylGln-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C34H55N5O8S/c1-10-23(4)29(38-33(44)47-21-25-14-12-11-13-15-25)32(43)37-27(16-17-28(40)39-34(6,7)8)31(42)35-24(5)30(41)36-26(20-22(2)3)18-19-48(9,45)46/h11-15,18-19,22-24,26-27,29H,10,16-17,20-21H2,1-9H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,40)/t23-,24-,26+,27-,29-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50185154
PNG
((2S,3S)-2-(Acetyl-methyl-amino)-3-methyl-pentanoic...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)NC(=O)[C@@H](NC(CC(C)C)C(=O)[C@@]1(C)CO1)[C@@H](C)O
Show InChI InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-26(37)22(18(7)33)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,29,33H,11-14H2,1-10H3,(H,30,38)(H,31,36,37)/t16-,17-,18+,20?,21-,22-,23-,28+/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186696
PNG
(CHEMBL206001 | pTosyl-NeopentylAsn-Ala-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C27H44N4O7S2/c1-18(2)15-21(13-14-39(8,35)36)30-25(33)20(4)29-26(34)23(16-24(32)28-17-27(5,6)7)31-40(37,38)22-11-9-19(3)10-12-22/h9-14,18,20-21,23,31H,15-17H2,1-8H3,(H,28,32)(H,29,34)(H,30,33)/b14-13+/t20-,21+,23-/m0/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186707
PNG
(CHEMBL204946 | pTosyl-NeopentylAsn-Ser-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C27H44N4O8S2/c1-18(2)14-20(12-13-40(7,36)37)29-26(35)23(16-32)30-25(34)22(15-24(33)28-17-27(4,5)6)31-41(38,39)21-10-8-19(3)9-11-21/h8-13,18,20,22-23,31-32H,14-17H2,1-7H3,(H,28,33)(H,29,35)(H,30,34)/b13-12+/t20-,22+,23+/m1/s1
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Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186685
PNG
(CHEMBL208015 | Cbz-Glu(OtBu)-Ala-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O
Show InChI InChI=1S/C28H43N3O8S/c1-19(2)17-22(15-16-40(7,36)37)30-25(33)20(3)29-26(34)23(13-14-24(32)39-28(4,5)6)31-27(35)38-18-21-11-9-8-10-12-21/h8-12,15-16,19-20,22-23H,13-14,17-18H2,1-7H3,(H,29,34)(H,30,33)(H,31,35)/t20-,22+,23-/m0/s1
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UniChem

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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186691
PNG
((S)-tert-butyl 4-(2,2-diphenylacetamido)-5-((S)-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(c1ccccc1)c1ccccc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C34H47N3O7S/c1-23(2)22-27(20-21-45(7,42)43)36-31(39)24(3)35-32(40)28(18-19-29(38)44-34(4,5)6)37-33(41)30(25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21,23-24,27-28,30H,18-19,22H2,1-7H3,(H,35,40)(H,36,39)(H,37,41)/b21-20+/t24-,27+,28-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50186724
PNG
(CHEMBL207669 | Cbz-Ile-CyclohexylGlu-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C36H56N4O9S/c1-7-25(4)32(40-36(45)48-23-27-14-10-8-11-15-27)35(44)39-30(18-19-31(41)49-29-16-12-9-13-17-29)34(43)37-26(5)33(42)38-28(22-24(2)3)20-21-50(6,46)47/h8,10-11,14-15,20-21,24-26,28-30,32H,7,9,12-13,16-19,22-23H2,1-6H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)/t25-,26-,28+,30-,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
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