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PubMed code 26005024

Compile data set for download or QSAR
Found 10 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-5


(Homo sapiens (Human))		BDBM50083929
PNG
(CHEMBL3423204)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(C)C)[C@H](C)O |r|
Show InChI InChI=1S/C28H36N4O8/c1-16(2)24(27(37)32-25(17(3)33)28(38)39-4)31-26(36)21(15-22(29)34)30-23(35)14-18-9-8-12-20(13-18)40-19-10-6-5-7-11-19/h5-13,16-17,21,24-25,33H,14-15H2,1-4H3,(H2,29,34)(H,30,35)(H,31,36)(H,32,37)/t17-,21-,24-,25-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083923
PNG
(CHEMBL3423352)
Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1 |r|
Show InChI InChI=1S/C31H36N4O7/c1-19(2)29(31(40)33-18-21-12-13-23(41-3)16-26(21)36)35-30(39)25(17-27(32)37)34-28(38)15-20-8-7-11-24(14-20)42-22-9-5-4-6-10-22/h4-14,16,19,25,29,36H,15,17-18H2,1-3H3,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t25-,29-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083930
PNG
(CHEMBL3423205)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H]([C@H](C)O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H40N4O8/c1-21(2)30(33(43)38-31(22(3)39)34(44)45-20-23-11-6-4-7-12-23)37-32(42)27(19-28(35)40)36-29(41)18-24-13-10-16-26(17-24)46-25-14-8-5-9-15-25/h4-17,21-22,27,30-31,39H,18-20H2,1-3H3,(H2,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,27-,30-,31-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083921
PNG
(CHEMBL3423354)
Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1 |r|
Show InChI InChI=1S/C32H38N4O7/c1-20(2)30(32(41)34-19-22-12-13-24(42-3)18-27(22)37)36-31(40)26(14-15-28(33)38)35-29(39)17-21-8-7-11-25(16-21)43-23-9-5-4-6-10-23/h4-13,16,18,20,26,30,37H,14-15,17,19H2,1-3H3,(H2,33,38)(H,34,41)(H,35,39)(H,36,40)/t26-,30-/m0/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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MCE
KEGG
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UniChem
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083913
PNG
(CHEMBL3423355)
Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1 |r|
Show InChI InChI=1S/C41H48N4O8/c1-28(2)38(40(49)43-26-31-20-21-33(51-3)25-36(31)46)45-39(48)35(19-10-11-22-42-41(50)52-27-29-13-6-4-7-14-29)44-37(47)24-30-15-12-18-34(23-30)53-32-16-8-5-9-17-32/h4-9,12-18,20-21,23,25,28,35,38,46H,10-11,19,22,24,26-27H2,1-3H3,(H,42,50)(H,43,49)(H,44,47)(H,45,48)/t35-,38-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50084014
PNG
(CHEMBL3423347)
Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(C)C |r|
Show InChI InChI=1S/C26H34N4O5/c1-4-13-28-26(34)24(17(2)3)30-25(33)21(16-22(27)31)29-23(32)15-18-9-8-12-20(14-18)35-19-10-6-5-7-11-19/h5-12,14,17,21,24H,4,13,15-16H2,1-3H3,(H2,27,31)(H,28,34)(H,29,32)(H,30,33)/t21-,24-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083927
PNG
(CHEMBL3421650)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H]([C@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C27H34N4O8/c1-15(2)23(26(36)31-24(16(3)32)27(37)38)30-25(35)20(14-21(28)33)29-22(34)13-17-8-7-11-19(12-17)39-18-9-5-4-6-10-18/h4-12,15-16,20,23-24,32H,13-14H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)(H,31,36)(H,37,38)/t16-,20-,23-,24-/m0/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50084013
PNG
(CHEMBL3423346)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)NCCO |r|
Show InChI InChI=1S/C25H32N4O6/c1-16(2)23(25(34)27-11-12-30)29-24(33)20(15-21(26)31)28-22(32)14-17-7-6-10-19(13-17)35-18-8-4-3-5-9-18/h3-10,13,16,20,23,30H,11-12,14-15H2,1-2H3,(H2,26,31)(H,27,34)(H,28,32)(H,29,33)/t20-,23-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50083925
PNG
(CHEMBL3423348)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H33N3O6/c1-20(2)28(30(37)38-19-21-10-5-3-6-11-21)33-29(36)25(18-26(31)34)32-27(35)17-22-12-9-15-24(16-22)39-23-13-7-4-8-14-23/h3-16,20,25,28H,17-19H2,1-2H3,(H2,31,34)(H,32,35)(H,33,36)/t25-,28-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis

Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%