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PubMed code 16603348

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Proteasome subunit beta type-2


(Homo sapiens (Human))
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50370717
PNG
(EPOXOMYCIN | Epoxomicin)
Show SMILES CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
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)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)
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n/an/a 47n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50185157
PNG
(CHEMBL210901 | benzyl (S)-4-methyl-1-((S)-4-methyl...)
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=CS(C)(=O)=O |w:33.34|
Show InChI InChI=1S/C28H45N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-14,19-21,23-25H,15-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50370717
PNG
(EPOXOMYCIN | Epoxomicin)
Show SMILES CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
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)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)
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PubMed
n/an/a 980n/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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
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 2.23E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-2


(Homo sapiens (Human))
BDBM50185157
PNG
(CHEMBL210901 | benzyl (S)-4-methyl-1-((S)-4-methyl...)
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=CS(C)(=O)=O |w:33.34|
Show InChI InChI=1S/C28H45N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-14,19-21,23-25H,15-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
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n/an/a 2.43E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
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 4.15E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
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 4.32E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
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 6.67E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


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


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%