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Compile Data Set for Download or QSAR

Found 240 hits for UniProtKB: P60900   
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
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476098
PNG
(Cinnabaramide G)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](CCCCCC)[C@]1(C)O)C(=O)SC[C@H](NC(C)=O)C(=O)OC |c:5|
Show InChI InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)/t17-,18+,19+,20+,24+,25+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50234982
PNG
(CHEMBL4102324)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C36H46ClN7O5S/c1-36(2,3)23-40-30(45)21-29(42-35(49)44-18-15-25(16-19-44)31(46)43-34-38-17-20-50-34)33(48)41-28(14-13-24-9-5-4-6-10-24)32(47)39-22-26-11-7-8-12-27(26)37/h4-12,17,20,25,28-29H,13-16,18-19,21-23H2,1-3H3,(H,39,47)(H,40,45)(H,41,48)(H,42,49)(H,38,43,46)/t28-,29-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476095
PNG
(CINNABARAMIDE A)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@@]12NC(=O)[C@H](CCCCCC)[C@]1(C)OC2=O |c:5|
Show InChI InChI=1S/C19H29NO4/c1-3-4-5-9-12-14-16(22)20-19(17(23)24-18(14,19)2)15(21)13-10-7-6-8-11-13/h7,10,13-15,21H,3-6,8-9,11-12H2,1-2H3,(H,20,22)/t13-,14+,15+,18+,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(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 |r,c:21|
Show InChI InChI=1S/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+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114117
BindingDB Entry DOI: 10.7270/Q2QR522B
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531806
PNG
(CHEMBL4460323)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50031442
PNG
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C=O |w:12.11|
Show InChI InChI=1S/C35H53N7O7/c1-24(2)22-26(23-43)38-32(45)30(19-13-20-37-35(36)40-42(48)49)39-31(44)27(25-14-8-9-15-25)16-7-5-3-4-6-12-21-41-33(46)28-17-10-11-18-29(28)34(41)47/h10-11,17-18,23-27,30H,3-9,12-16,19-22H2,1-2H3,(H,38,45)(H,39,44)(H3,36,37,40)
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n/an/a 2n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain


J Med Chem 38: 2276-7 (1995)


Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531814
PNG
(CHEMBL4517600)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C44H55N5O7/c1-28(2)24-35(39(51)44(5)27-56-44)46-42(54)37(26-30-12-8-6-9-13-30)47-41(53)36(25-29(3)4)48-43(55)49-22-20-33(21-23-49)40(52)45-34-18-16-32(17-19-34)38(50)31-14-10-7-11-15-31/h6-19,28-29,33,35-37H,20-27H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t35-,36-,37-,44+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50514365
PNG
(CHEMBL4587036)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O |r|
Show InChI InChI=1S/C90H162N38O20/c1-49(2)40-54(48-129)117-83(147)66(42-51(5)6)128-84(148)65(41-50(3)4)119-71(135)46-113-69(133)44-112-70(134)45-114-73(137)56(20-12-34-106-85(94)95)120-78(142)60(22-14-36-108-87(98)99)124-80(144)62(24-16-38-110-89(102)103)126-82(146)64(30-31-68(93)132)127-81(145)63(25-17-39-111-90(104)105)125-79(143)61(23-15-37-109-88(100)101)123-77(141)59(19-9-11-33-92)122-76(140)58(18-8-10-32-91)121-75(139)57(21-13-35-107-86(96)97)118-72(136)47-115-74(138)67(116-52(7)130)43-53-26-28-55(131)29-27-53/h26-29,48-51,54,56-67,131H,8-25,30-47,91-92H2,1-7H3,(H2,93,132)(H,112,134)(H,113,133)(H,114,137)(H,115,138)(H,116,130)(H,117,147)(H,118,136)(H,119,135)(H,120,142)(H,121,139)(H,122,140)(H,123,141)(H,124,144)(H,125,143)(H,126,146)(H,127,145)(H,128,148)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay


J Med Chem 63: 334-348 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01694
BindingDB Entry DOI: 10.7270/Q2XG9VGV
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603962
PNG
(CHEMBL5197285)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1nccs1 |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531815
PNG
(CHEMBL4444107)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H50FN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531807
PNG
(CHEMBL4541038)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-23(2)18-28(31(43)36(5)22-48-36)39-34(46)30(20-25-10-7-6-8-11-25)40-33(45)29(19-24(3)4)41-35(47)42-16-13-26(14-17-42)32(44)38-27-12-9-15-37-21-27/h6-12,15,21,23-24,26,28-30H,13-14,16-20,22H2,1-5H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,36+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531812
PNG
(CHEMBL4547405)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C38H50N6O6S/c1-23(2)19-28(32(45)38(5)22-50-38)39-35(48)30(21-25-11-7-6-8-12-25)40-34(47)29(20-24(3)4)42-37(49)44-17-15-26(16-18-44)33(46)43-36-41-27-13-9-10-14-31(27)51-36/h6-14,23-24,26,28-30H,15-22H2,1-5H3,(H,39,48)(H,40,47)(H,42,49)(H,41,43,46)/t28-,29-,30-,38+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603940
PNG
(CHEMBL5171225)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50514367
PNG
(CHEMBL4581126)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O |r|
Show InChI InChI=1S/C102H169N39O22/c1-57(2)47-63(56-142)129-94(161)78(49-60-19-7-6-8-20-60)141-95(162)75(48-58(3)4)140-96(163)77(51-62-31-35-65(145)36-32-62)131-82(149)54-125-80(147)52-124-81(148)53-126-84(151)66(23-13-41-118-97(106)107)132-89(156)70(25-15-43-120-99(110)111)136-91(158)72(27-17-45-122-101(114)115)138-93(160)74(37-38-79(105)146)139-92(159)73(28-18-46-123-102(116)117)137-90(157)71(26-16-44-121-100(112)113)135-88(155)69(22-10-12-40-104)134-87(154)68(21-9-11-39-103)133-86(153)67(24-14-42-119-98(108)109)130-83(150)55-127-85(152)76(128-59(5)143)50-61-29-33-64(144)34-30-61/h6-8,19-20,29-36,56-58,63,66-78,144-145H,9-18,21-28,37-55,103-104H2,1-5H3,(H2,105,146)(H,124,148)(H,125,147)(H,126,151)(H,127,152)(H,128,143)(H,129,161)(H,130,150)(H,131,149)(H,132,156)(H,133,153)(H,134,154)(H,135,155)(H,136,158)(H,137,157)(H,138,160)(H,139,159)(H,140,163)(H,141,162)(H4,106,107,118)(H4,108,109,119)(H4,110,111,120)(H4,112,113,121)(H4,114,115,122)(H4,116,117,123)/t63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay


J Med Chem 63: 334-348 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01694
BindingDB Entry DOI: 10.7270/Q2XG9VGV
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531826
PNG
(CHEMBL4558648)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H50ClN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531813
PNG
(CHEMBL4542373)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nncs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H47N7O6S/c1-20(2)15-24(27(41)33(5)18-46-33)35-30(44)26(17-22-9-7-6-8-10-22)36-29(43)25(16-21(3)4)37-32(45)40-13-11-23(12-14-40)28(42)38-31-39-34-19-47-31/h6-10,19-21,23-26H,11-18H2,1-5H3,(H,35,44)(H,36,43)(H,37,45)(H,38,39,42)/t24-,25-,26-,33+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531808
PNG
(CHEMBL4467618)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H53N5O7/c1-24(2)20-30(33(44)38(5)23-50-38)40-36(47)32(22-26-10-8-7-9-11-26)41-35(46)31(21-25(3)4)42-37(48)43-18-16-27(17-19-43)34(45)39-28-12-14-29(49-6)15-13-28/h7-15,24-25,27,30-32H,16-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t30-,31-,32-,38+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588478
PNG
((R)-N-(2,5-dichlorobenzoyl)-3- methylmercaptopropi...)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O |r|
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TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603963
PNG
(CHEMBL5186240)
Show SMILES CN(C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)c1cccnc1 |r|
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n/an/a 5.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50516758
PNG
(CHEMBL4444471 | US11542283, Compound V-9A)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1 |r|
Show InChI InChI=1S/C20H30BCl2N3O4S/c1-13(2)10-18(21-29-8-6-24-7-9-30-21)26-20(28)17(12-31-3)25-19(27)15-11-14(22)4-5-16(15)23/h4-5,11,13,17-18,24H,6-10,12H2,1-3H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476097
PNG
(Cinnabaramide F)
Show SMILES [H][C@@]1(CCCC=C1)[C@H](O)[C@]1(NC(=O)[C@H](CCCCCC)[C@]1(C)O)C(=O)SC[C@H](NC(C)=O)C(O)=O |c:5|
Show InChI InChI=1S/C24H38N2O7S/c1-4-5-6-10-13-17-20(29)26-24(23(17,3)33,19(28)16-11-8-7-9-12-16)22(32)34-14-18(21(30)31)25-15(2)27/h8,11,16-19,28,33H,4-7,9-10,12-14H2,1-3H3,(H,25,27)(H,26,29)(H,30,31)/t16-,17+,18+,19+,23+,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



InterMed Discovery GmbH (IMD)

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome


J Nat Prod 70: 246-52 (2007)


Article DOI: 10.1021/np060162u
BindingDB Entry DOI: 10.7270/Q27947F4
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50031440
PNG
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)C=O |w:12.11|
Show InChI InChI=1S/C28H49N7O5/c1-21(2)19-23(20-36)32-27(38)25(16-12-18-31-28(30)34-35(39)40)33-26(37)24(22-13-9-10-14-22)15-8-6-4-3-5-7-11-17-29/h20-25H,3-16,18-19H2,1-2H3,(H,32,38)(H,33,37)(H3,30,31,34)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain


J Med Chem 38: 2276-7 (1995)


Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531825
PNG
(CHEMBL4435814)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccon1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C34H48N6O7/c1-21(2)17-25(29(41)34(5)20-46-34)35-32(44)27(19-23-9-7-6-8-10-23)36-31(43)26(18-22(3)4)37-33(45)40-14-11-24(12-15-40)30(42)38-28-13-16-47-39-28/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,35,44)(H,36,43)(H,37,45)(H,38,39,42)/t25-,26-,27-,34+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50514366
PNG
(CHEMBL4447701)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O |r|
Show InChI InChI=1S/C32H44N4O6/c1-20(2)15-25(19-37)34-30(40)29(17-23-9-7-6-8-10-23)36-31(41)27(16-21(3)4)35-32(42)28(33-22(5)38)18-24-11-13-26(39)14-12-24/h6-14,19-21,25,27-29,39H,15-18H2,1-5H3,(H,33,38)(H,34,40)(H,35,42)(H,36,41)/t25-,27-,28-,29-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay


J Med Chem 63: 334-348 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01694
BindingDB Entry DOI: 10.7270/Q2XG9VGV
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531816
PNG
(CHEMBL4436430)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H49N7O6/c1-22(2)17-26(30(43)35(5)21-48-35)38-33(46)28(19-24-9-7-6-8-10-24)39-32(45)27(18-23(3)4)40-34(47)42-15-11-25(12-16-42)31(44)41-29-20-36-13-14-37-29/h6-10,13-14,20,22-23,25-28H,11-12,15-19,21H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,37,41,44)/t26-,27-,28-,35+/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588482
PNG
((R)-N-(2,5-dichlorobenzoyl)-3- methylmercaptopropi...)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
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TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(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 |r|
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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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S proteasome chymotrypsin-like activity in human RPMI-8226 cells using Suc-LLVY-AMC as fluorogenic substrate incubated for 3 hr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00291
BindingDB Entry DOI: 10.7270/Q2RX9GWM
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603953
PNG
(CHEMBL5202627)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccc(Cl)cc1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50475041
PNG
(CHEMBL181131 | TP-104)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-27(21-39)18-23-10-14-28(40)15-11-23)38-34(43)31(19-24-12-16-29(41)17-13-24)37-32(42)20-26-8-5-7-25-6-3-4-9-30(25)26/h3-17,21-22,27,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t27?,31-,33-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Numazu Bio-Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit chymotrypsin-like activity of 20S proteasome prepared from human leukemia HL-60 cells was determined


Bioorg Med Chem Lett 15: 1867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.013
BindingDB Entry DOI: 10.7270/Q2CF9SVN
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50469762
PNG
(CHEMBL432281)
Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)(C)C)C(C)C)c(O)c1
Show InChI InChI=1S/C52H65N5O10/c1-31(2)44(49(61)54-30-36-22-23-37(64-6)28-40(36)58)57-50(62)45(53-29-33-25-41(65-7)47(67-9)42(26-33)66-8)46(60)39(24-32-16-11-10-12-17-32)55-51(63)48(52(3,4)5)56-43(59)27-35-20-15-19-34-18-13-14-21-38(34)35/h10-23,25-26,28,31,39,44-46,48,53,58,60H,24,27,29-30H2,1-9H3,(H,54,61)(H,55,63)(H,56,59)(H,57,62)/t39-,44-,45+,46+,48+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of chymotrypsin like activity of purified human 20S proteasome


Bioorg Med Chem Lett 12: 1331-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00178-6
BindingDB Entry DOI: 10.7270/Q27D2XV2
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462603
PNG
(CHEMBL4248209 | US11542283, Compound V-8A)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1 |r|
Show InChI InChI=1S/C20H30BCl2N3O5/c1-13(2)10-18(21-30-8-6-24-7-9-31-21)26-20(28)17(12-29-3)25-19(27)15-11-14(22)4-5-16(15)23/h4-5,11,13,17-18,24H,6-10,12H2,1-3H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603957
PNG
(CHEMBL5208573)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)N1CCc2ccccc12)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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n/an/a 7.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462621
PNG
(CHEMBL1813256 | MLN-9708 | US11542283, Compound ML...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
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n/an/a 7.47n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM50462625
PNG
(CHEMBL4243375 | US11542283, Compound IV-8)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O |r|
Show InChI InChI=1S/C16H23BCl2N2O5/c1-9(2)6-14(17(24)25)21-16(23)13(8-26-3)20-15(22)11-7-10(18)4-5-12(11)19/h4-5,7,9,13-14,24-25H,6,8H2,1-3H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
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n/an/a 7.52n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531811
PNG
(CHEMBL4559271)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ncccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H49N7O6/c1-22(2)18-26(29(43)35(5)21-48-35)38-32(46)28(20-24-10-7-6-8-11-24)39-31(45)27(19-23(3)4)40-34(47)42-16-12-25(13-17-42)30(44)41-33-36-14-9-15-37-33/h6-11,14-15,22-23,25-28H,12-13,16-21H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,36,37,41,44)/t26-,27-,28-,35+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603956
PNG
(CHEMBL5172645)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)N1CCCc2ccccc12)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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n/an/a 8.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM588480
PNG
((S)-N-(2,5-dichlorobenzoyl)-3- methoxypropionamido...)
Show SMILES COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r|
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n/an/a 8.20n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603952
PNG
(CHEMBL5179570)
Show SMILES CCN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccccc1 |r|
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n/an/a 8.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603941
PNG
(CHEMBL5209077)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1cccnc1 |r|
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n/an/a 8.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603960
PNG
(CHEMBL5173459)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccccn1 |r|
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n/an/a 8.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603961
PNG
(CHEMBL5196378)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccncc1 |r|
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n/an/a 9.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603951
PNG
(CHEMBL5188065)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccccc1 |r|
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n/an/a 9.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531833
PNG
(CHEMBL4572638)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C43H55N5O6/c1-28(2)24-35(38(49)43(5)27-54-43)45-41(52)37(26-30-12-8-6-9-13-30)46-40(51)36(25-29(3)4)47-42(53)48-22-20-33(21-23-48)39(50)44-34-18-16-32(17-19-34)31-14-10-7-11-15-31/h6-19,28-29,33,35-37H,20-27H2,1-5H3,(H,44,50)(H,45,52)(H,46,51)(H,47,53)/t35-,36-,37-,43+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50603954
PNG
(CHEMBL5201055)
Show SMILES CN(C(=O)C1CCN(CC1)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r|
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n/an/a 9.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114211
BindingDB Entry DOI: 10.7270/Q2WH2V2V
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50531832
PNG
(CHEMBL4441018)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-23(2)19-28(31(43)36(5)22-48-36)39-34(46)30(21-25-9-7-6-8-10-25)40-33(45)29(20-24(3)4)41-35(47)42-17-13-26(14-18-42)32(44)38-27-11-15-37-16-12-27/h6-12,15-16,23-24,26,28-30H,13-14,17-22H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)(H,37,38,44)/t28-,29-,30-,36+/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(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 |r|
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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n/an/a 9.92n/an/an/an/an/an/a


TBA

Assay Description
The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purch...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P937G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome activity in human ANBL-6 cells


J Med Chem 61: 7448-7470 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00318
BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(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 |r|
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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n/an/a 11n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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