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Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with Target = 'Proteasome Macropain subunit' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Proteasome Macropain subunit


(Homo sapiens)
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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PubMed
330n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


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



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 12n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 14n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 15n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 16n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50185156
PNG
(CHEMBL210439 | Hmb-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C
Show InChI InChI=1S/C28H42N4O7/c1-7-39-24(35)14-11-19(15-16(2)3)30-27(37)21(12-13-23(29)34)31-28(38)25(17(4)5)32-26(36)20-9-8-10-22(33)18(20)6/h8-11,14,16-17,19,21,25,33H,7,12-13,15H2,1-6H3,(H2,29,34)(H,30,37)(H,31,38)(H,32,36)/b14-11+/t19-,21+,25+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 20n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426996
PNG
(CHEMBL2326261)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C37H48N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-18,25,31-34H,19-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/b18-17+/t31-,32+,33+,34+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=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 28n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50185159
PNG
(CHEMBL208162 | Hmb-Phe-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C32H42N4O7/c1-5-43-29(39)17-14-23(18-20(2)3)34-31(41)25(15-16-28(33)38)35-32(42)26(19-22-10-7-6-8-11-22)36-30(40)24-12-9-13-27(37)21(24)4/h6-14,17,20,23,25-26,37H,5,15-16,18-19H2,1-4H3,(H2,33,38)(H,34,41)(H,35,42)(H,36,40)/b17-14+/t23-,25+,26+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50185155
PNG
(CHEMBL207774 | H-Phe-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H45N5O6/c1-6-40-25(36)15-12-21(16-18(2)3)32-28(38)23(13-14-24(31)35)33-29(39)26(19(4)5)34-27(37)22(30)17-20-10-8-7-9-11-20/h7-12,15,18-19,21-23,26H,6,13-14,16-17,30H2,1-5H3,(H2,31,35)(H,32,38)(H,33,39)(H,34,37)/b15-12+/t21-,22+,23+,26+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426992
PNG
(CHEMBL2326260)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H46N8O5S/c1-24(2)19-31(34(45)40-30(17-18-50(3,48)49)20-26-9-11-28(23-37)12-10-26)41-35(46)32(21-27-13-15-29(38)16-14-27)42-36(47)33(43-44-39)22-25-7-5-4-6-8-25/h4-18,24,30-33H,19-23,37-38H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)/b18-17+/t30-,31+,32+,33+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426994
PNG
(CHEMBL2326533)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426997
PNG
(CHEMBL2326541)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C35H44N8O5S/c1-24(2)19-30(33(44)39-29(15-18-49(3,47)48)20-26-9-11-28(23-36)12-10-26)40-34(45)31(21-27-13-16-38-17-14-27)41-35(46)32(42-43-37)22-25-7-5-4-6-8-25/h4-18,24,29-32H,19-23,36H2,1-3H3,(H,39,44)(H,40,45)(H,41,46)/b18-15+/t29-,30+,31+,32+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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n/an/a 52n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50185158
PNG
(CHEMBL210091 | H-Tyr-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C29H45N5O7/c1-6-41-25(37)14-9-20(15-17(2)3)32-28(39)23(12-13-24(31)36)33-29(40)26(18(4)5)34-27(38)22(30)16-19-7-10-21(35)11-8-19/h7-11,14,17-18,20,22-23,26,35H,6,12-13,15-16,30H2,1-5H3,(H2,31,36)(H,32,39)(H,33,40)(H,34,38)/b14-9+/t20-,22+,23+,26+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426994
PNG
(CHEMBL2326533)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50427003
PNG
(CHEMBL2326262)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(N)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H46N8O5S/c1-24(2)19-31(34(45)40-30(17-18-50(3,48)49)20-26-13-15-29(38)16-14-26)41-35(46)32(21-27-9-11-28(23-37)12-10-27)42-36(47)33(43-44-39)22-25-7-5-4-6-8-25/h4-18,24,30-33H,19-23,37-38H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)/b18-17+/t30-,31+,32+,33+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50329819
PNG
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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n/an/a>100n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426992
PNG
(CHEMBL2326260)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H46N8O5S/c1-24(2)19-31(34(45)40-30(17-18-50(3,48)49)20-26-9-11-28(23-37)12-10-26)41-35(46)32(21-27-13-15-29(38)16-14-27)42-36(47)33(43-44-39)22-25-7-5-4-6-8-25/h4-18,24,30-33H,19-23,37-38H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)/b18-17+/t30-,31+,32+,33+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50185154
PNG
((2S,3S)-2-(Acetyl-methyl-amino)-3-methyl-pentanoic...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)NC(=O)[C@@H](NC(CC(C)C)C(=O)[C@@]1(C)CO1)[C@@H](C)O
Show InChI InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-26(37)22(18(7)33)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,29,33H,11-14H2,1-10H3,(H,30,38)(H,31,36,37)/t16-,17-,18+,20?,21-,22-,23-,28+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Celera

Curated by ChEMBL


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


J Med Chem 49: 2953-68 (2006)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426994
PNG
(CHEMBL2326533)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426996
PNG
(CHEMBL2326261)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C37H48N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-18,25,31-34H,19-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/b18-17+/t31-,32+,33+,34+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50427001
PNG
(CHEMBL2326264)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])\C=C\S(C)(=O)=O
Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-27(15-16-46(5,44)45)36-31(41)28(18-23(3)4)37-32(42)29(19-25-11-13-26(21-34)14-12-25)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426993
PNG
(CHEMBL2326539)
Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 200n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444899
PNG
(CHEMBL3099640)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C1(CCCCC1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C34H50N2O2/c1-2-9-23-35(22-8-1)26-28-37-32-16-12-30(13-17-32)34(20-6-5-7-21-34)31-14-18-33(19-15-31)38-29-27-36-24-10-3-4-11-25-36/h12-19H,1-11,20-29H2
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n/an/a 200n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426997
PNG
(CHEMBL2326541)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C35H44N8O5S/c1-24(2)19-30(33(44)39-29(15-18-49(3,47)48)20-26-9-11-28(23-36)12-10-26)40-34(45)31(21-27-13-16-38-17-14-27)41-35(46)32(42-43-37)22-25-7-5-4-6-8-25/h4-18,24,29-32H,19-23,36H2,1-3H3,(H,39,44)(H,40,45)(H,41,46)/b18-15+/t29-,30+,31+,32+/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444904
PNG
(CHEMBL3099622)
Show SMILES CCCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C39H52N2O2/c1-2-14-38(33-15-8-7-9-16-33)39(34-17-21-36(22-18-34)42-31-29-40-25-10-3-4-11-26-40)35-19-23-37(24-20-35)43-32-30-41-27-12-5-6-13-28-41/h7-9,15-24H,2-6,10-14,25-32H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444907
PNG
(CHEMBL3099623)
Show SMILES CC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C37H48N2O2/c1-31(32-13-7-6-8-14-32)37(33-15-19-35(20-16-33)40-29-27-38-23-9-2-3-10-24-38)34-17-21-36(22-18-34)41-30-28-39-25-11-4-5-12-26-39/h6-8,13-22H,2-5,9-12,23-30H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50427002
PNG
(CHEMBL2326263)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccncc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C35H44N8O5S/c1-24(2)19-30(33(44)39-29(15-18-49(3,47)48)20-27-13-16-38-17-14-27)40-34(45)31(21-26-9-11-28(23-36)12-10-26)41-35(46)32(42-43-37)22-25-7-5-4-6-8-25/h4-18,24,29-32H,19-23,36H2,1-3H3,(H,39,44)(H,40,45)(H,41,46)/b18-15+/t29-,30+,31+,32+/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by S...


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426996
PNG
(CHEMBL2326261)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C37H48N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-18,25,31-34H,19-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/b18-17+/t31-,32+,33+,34+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426992
PNG
(CHEMBL2326260)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H46N8O5S/c1-24(2)19-31(34(45)40-30(17-18-50(3,48)49)20-26-9-11-28(23-37)12-10-26)41-35(46)32(21-27-13-15-29(38)16-14-27)42-36(47)33(43-44-39)22-25-7-5-4-6-8-25/h4-18,24,30-33H,19-23,37-38H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)/b18-17+/t30-,31+,32+,33+/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 590n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C(=Cc1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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PubMed
n/an/a 690n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 700n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
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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n/an/a 867n/an/an/an/an/an/a



University Paris 6

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...


J Med Chem 56: 3367-78 (2013)

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50444905
PNG
(CHEMBL3099635)
Show SMILES C=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H42N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17H,1-9,18-25H2
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n/an/a 880n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


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

More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens)
BDBM50426995
PNG
(CHEMBL2326272)
Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C25H38N6O7/c1-13(2)19(31-21(35)15-7-5-9-18(33)14(15)3)23(37)30-17(11-32)22(36)29-16(8-6-10-28-24(26)27)20(34)25(4)12-38-25/h5,7,9,13,16-17,19,32-33H,6,8,10-12H2,1-4H3,(H,29,36)(H,30,37)(H,31,35)(H4,26,27,28)/t16-,17-,19-,25+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay


J Med Chem 56: 1262-75 (2013)

More data for this
Ligand-Target Pair
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