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Compile Data Set for Download or QSAR

Found 469 hits Enz. Inhib. hit(s) with Target = '20S proteasome chymotrypsin-like'   
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))
BDBM50444464
PNG
(CHEMBL192046)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C15H22ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h9-11,18H,2-8H2,1H3,(H,17,19)/t10-,11-,14-,15-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444463
PNG
(CHEMBL3092608)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCCl)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C16H24ClNO4/c1-15-11(8-5-9-17)13(20)18-16(15,14(21)22-15)12(19)10-6-3-2-4-7-10/h10-12,19H,2-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444461
PNG
(CHEMBL3092610)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)Cc1ccccc1
Show InChI InChI=1S/C16H18ClNO4/c1-15-11(7-8-17)13(20)18-16(15,14(21)22-15)12(19)9-10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
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n/an/an/an/a 332n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444462
PNG
(CHEMBL3092609)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
Show InChI InChI=1S/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50126170
PNG
(CHEMBL3629678)
Show SMILES CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C32H48N4O4/c1-4-5-6-7-8-9-13-19-30(38)34-28(23-25-16-11-10-12-17-25)32(40)36-27-18-14-15-22-33-29(37)21-20-26(24(2)3)35-31(27)39/h10-12,14,16-18,20-21,24,26-28H,4-9,13,15,19,22-23H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b18-14+,21-20+/t26-,27+,28+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta-5 (unknown origin)


Bioorg Med Chem Lett 25: 4872-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.015
BindingDB Entry DOI: 10.7270/Q2028TBR
More data for this
Ligand-Target Pair
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))
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=1S/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-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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1.40n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
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))
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=1S/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-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
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))
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=1S/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+/m0/s1
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6n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
20S proteasome chymotrypsin-like


(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=1S/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-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
20S proteasome chymotrypsin-like


(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=1S/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-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
20S proteasome chymotrypsin-like


(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=1S/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+/m0/s1
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10n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
20S proteasome chymotrypsin-like


(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=1S/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+/m0/s1
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11n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
20S proteasome chymotrypsin-like


(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=1S/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+/m0/s1
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11n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
20S proteasome chymotrypsin-like


(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=1S/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+/m0/s1
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11n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...


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
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))
BDBM50021350
PNG
(CHEMBL3287940)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccccc2c1=O)B(O)O
Show InChI InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021352
PNG
(CHEMBL3287943)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O
Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1
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53n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021348
PNG
(CHEMBL3287937)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ncccc2c1=O)B(O)O
Show InChI InChI=1S/C16H22BN3O4/c1-11(2)10-14(17(23)24)19-15(21)6-9-20-8-5-13-12(16(20)22)4-3-7-18-13/h3-5,7-8,11,14,23-24H,6,9-10H2,1-2H3,(H,19,21)/t14-/m0/s1
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57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021353
PNG
(CHEMBL3287944)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc2c1=O)B(O)O
Show InChI InChI=1S/C17H22BBrN2O4/c1-11(2)9-15(18(24)25)20-16(22)6-8-21-7-5-12-3-4-13(19)10-14(12)17(21)23/h3-5,7,10-11,15,24-25H,6,8-9H2,1-2H3,(H,20,22)/t15-/m0/s1
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430963
PNG
(CHEMBL2337842)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C66H91N9O12/c1-47(60(80)74-55(61(81)71-45-49-25-11-5-12-26-49)44-66(85)52-29-19-20-30-53(52)75-63(66)83)72-62(82)54(43-48-35-37-51(38-36-48)86-46-50-27-13-6-14-28-50)73-59(79)34-18-10-23-41-69-57(77)32-16-8-21-39-67-56(76)31-15-7-22-40-68-58(78)33-17-9-24-42-70-64(84)87-65(2,3)4/h5-6,11-14,19-20,25-30,35-38,47,54-55,85H,7-10,15-18,21-24,31-34,39-46H2,1-4H3,(H,67,76)(H,68,78)(H,69,77)(H,70,84)(H,71,81)(H,72,82)(H,73,79)(H,74,80)(H,75,83)/t47-,54-,55-,66+/m0/s1
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67n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...


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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021355
PNG
(CHEMBL3287946)
Show SMILES CC(C)CCNC(=O)CCn1cc(Br)c2ncccc2c1=O
Show InChI InChI=1S/C16H20BrN3O2/c1-11(2)5-8-18-14(21)6-9-20-10-13(17)15-12(16(20)22)4-3-7-19-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,21)
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50021351
PNG
(CHEMBL3287942)
Show SMILES COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC
Show InChI InChI=1S/C19H27BN2O6/c1-12(2)9-17(20(25)26)21-18(23)6-8-22-7-5-13-10-15(27-3)16(28-4)11-14(13)19(22)24/h5,7,10-12,17,25-26H,6,8-9H2,1-4H3,(H,21,23)/t17-/m0/s1
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85n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O
Show InChI InChI=1S/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O
Show InChI InChI=1S/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430964
PNG
(CHEMBL2337841)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C60H80N8O11/c1-42(54(72)67-50(55(73)64-40-44-22-10-5-11-23-44)39-60(77)47-26-17-18-27-48(47)68-57(60)75)65-56(74)49(38-43-31-33-46(34-32-43)78-41-45-24-12-6-13-25-45)66-53(71)30-16-9-20-36-62-51(69)28-14-7-19-35-61-52(70)29-15-8-21-37-63-58(76)79-59(2,3)4/h5-6,10-13,17-18,22-27,31-34,42,49-50,77H,7-9,14-16,19-21,28-30,35-41H2,1-4H3,(H,61,70)(H,62,69)(H,63,76)(H,64,73)(H,65,74)(H,66,71)(H,67,72)(H,68,75)/t42-,49-,50-,60+/m0/s1
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101n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...


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
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O
Show InChI InChI=1S/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O
Show InChI InChI=1S/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O
Show InChI InChI=1S/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430963
PNG
(CHEMBL2337842)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C66H91N9O12/c1-47(60(80)74-55(61(81)71-45-49-25-11-5-12-26-49)44-66(85)52-29-19-20-30-53(52)75-63(66)83)72-62(82)54(43-48-35-37-51(38-36-48)86-46-50-27-13-6-14-28-50)73-59(79)34-18-10-23-41-69-57(77)32-16-8-21-39-67-56(76)31-15-7-22-40-68-58(78)33-17-9-24-42-70-64(84)87-65(2,3)4/h5-6,11-14,19-20,25-30,35-38,47,54-55,85H,7-10,15-18,21-24,31-34,39-46H2,1-4H3,(H,67,76)(H,68,78)(H,69,77)(H,70,84)(H,71,81)(H,72,82)(H,73,79)(H,74,80)(H,75,83)/t47-,54-,55-,66+/m0/s1
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200n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...


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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434768
PNG
(CHEMBL2385810)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccccc1=O)B(O)O
Show InChI InChI=1S/C12H19BN2O4/c1-9(2)7-10(13(18)19)14-11(16)8-15-6-4-3-5-12(15)17/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434765
PNG
(CHEMBL2385813)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCCCC1)B(O)O
Show InChI InChI=1S/C17H28BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,11,13,15,24-25H,3-5,7-8,10,12H2,1-2H3,(H,19,22)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50007725
PNG
(CHEMBL3233450)
Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCCCC1)B(O)O
Show InChI InChI=1S/C17H30BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,13-15,24-25H,3-5,7-8,10-12H2,1-2H3,(H,19,22)/t14?,15-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430964
PNG
(CHEMBL2337841)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C60H80N8O11/c1-42(54(72)67-50(55(73)64-40-44-22-10-5-11-23-44)39-60(77)47-26-17-18-27-48(47)68-57(60)75)65-56(74)49(38-43-31-33-46(34-32-43)78-41-45-24-12-6-13-25-45)66-53(71)30-16-9-20-36-62-51(69)28-14-7-19-35-61-52(70)29-15-8-21-37-63-58(76)79-59(2,3)4/h5-6,10-13,17-18,22-27,31-34,42,49-50,77H,7-9,14-16,19-21,28-30,35-41H2,1-4H3,(H,61,70)(H,62,69)(H,63,76)(H,64,73)(H,65,74)(H,66,71)(H,67,72)(H,68,75)/t42-,49-,50-,60+/m0/s1
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316n/an/an/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...


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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50007722
PNG
(CHEMBL3233445)
Show SMILES CC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O
Show InChI InChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22)
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330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50119291
PNG
(CHEMBL3613827)
Show SMILES COC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C35H44N6O6/c1-22(2)31(34(45)47-3)41-35(46)40-29(19-23-11-5-4-6-12-23)33(44)39-28-15-9-10-18-36-30(42)17-16-25(38-32(28)43)20-24-21-37-27-14-8-7-13-26(24)27/h4-8,11-14,16-17,21-22,25,28-29,31,37H,9-10,15,18-20H2,1-3H3,(H,36,42)(H,38,43)(H,39,44)(H2,40,41,46)/b17-16+/t25-,28+,29+,31+/m1/s1
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385n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate by fluorescence assay


Bioorg Med Chem 23: 6218-22 (2015)


Article DOI: 10.1016/j.bmc.2015.07.041
BindingDB Entry DOI: 10.7270/Q25B0499
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50195937
PNG
(CHEMBL3919583)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H37N3O7/c1-15(2)11-18(21(29)26-20(13-28)23(31)33-5)25-22(30)19(12-16(3)4)27-24(32)34-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,28H,11-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)/t18-,19-,20-/m0/s1
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420n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434763
PNG
(CHEMBL2385817)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O
Show InChI InChI=1S/C15H20BN3O4/c1-10(2)8-13(16(22)23)18-14(20)9-19-7-5-12-11(15(19)21)4-3-6-17-12/h3-7,10,13,22-23H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
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440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
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