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Compile Data Set for Download or QSAR

Found 218 hits for UniProtKB: P25787   
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))
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))
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))
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))
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))
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))
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
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
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))
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))
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))
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
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 6.90n/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
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))
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))
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))
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
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))
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
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
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))
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))
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))
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
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)
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50476096
PNG
(Cinnabaramide C)
Show SMILES [H][C@]1(C[C@@]23NC(=O)[C@H](CCCCCC)[C@]2(C)OC3=O)CCCC=C1 |c:24|
Show InChI InChI=1S/C19H29NO3/c1-3-4-5-9-12-15-16(21)20-19(17(22)23-18(15,19)2)13-14-10-7-6-8-11-14/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,20,21)/t14-,15+,18+,19+/m1/s1
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n/an/a 12n/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))
BDBM50475039
PNG
(CHEMBL181025 | TP-103)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-28(21-39)18-23-8-13-29(40)14-9-23)38-34(43)31(19-24-10-15-30(41)16-11-24)37-32(42)20-25-7-12-26-5-3-4-6-27(26)17-25/h3-17,21-22,28,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t28?,31-,33-/m0/s1
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n/an/a 14n/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))
BDBM50531809
PNG
(CHEMBL4578081)
Show SMILES CC(C)C[C@H](NC(=O)C1CCN(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)42-34(46)30(20-24(3)4)41-33(45)26-15-17-43(18-16-26)36(48)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t29-,30-,31-,37+/m0/s1
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n/an/a 14n/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))
BDBM50531822
PNG
(CHEMBL4443333)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccc(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)43-17-15-28(16-18-43)39-33(45)26-11-13-27(38)14-12-26/h6-14,23-24,28-31H,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 15n/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))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 15n/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
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))
BDBM50571135
PNG
(CHEMBL4864661)
Show SMILES CSC[C@H](NC(=O)[C@H](CSC)NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116182
BindingDB Entry DOI: 10.7270/Q2J67MQ5
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))
BDBM50571145
PNG
(CHEMBL4875208)
Show SMILES CSC[C@H](NC(=O)[C@H](CSC)NC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116182
BindingDB Entry DOI: 10.7270/Q2J67MQ5
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))
BDBM50531835
PNG
(CHEMBL4557130)
Show SMILES COc1ccc(NC(=O)N2CCC(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)42-35(46)31(21-25(3)4)41-34(45)27-16-18-43(19-17-27)37(48)39-28-12-14-29(49-6)15-13-28/h7-15,24-25,27,30-32H,16-23H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t30-,31-,32-,38+/m0/s1
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n/an/a 17n/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
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