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Compile Data Set for Download or QSAR

Found 271 hits with Last Name = 'di giovanni' and Initial = 'c'   
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))
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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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
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 |r|
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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1.40n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(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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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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70n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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74n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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80n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
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88n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O |r|
Show InChI InChI=1S/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O |r|
Show InChI InChI=1S/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434768
PNG
(CHEMBL2385810)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccccc1=O)B(O)O |r|
Show InChI InChI=1S/C12H19BN2O4/c1-9(2)7-10(13(18)19)14-11(16)8-15-6-4-3-5-12(15)17/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434765
PNG
(CHEMBL2385813)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCCCC1)B(O)O |r|
Show InChI InChI=1S/C17H28BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,11,13,15,24-25H,3-5,7-8,10,12H2,1-2H3,(H,19,22)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007725
PNG
(CHEMBL3233450)
Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCCCC1)B(O)O |r,c:10|
Show InChI InChI=1S/C17H30BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,13-15,24-25H,3-5,7-8,10-12H2,1-2H3,(H,19,22)/t14?,15-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007722
PNG
(CHEMBL3233445)
Show SMILES CC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O
Show InChI InChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22)
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330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50195937
PNG
(CHEMBL3919583)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H37N3O7/c1-15(2)11-18(21(29)26-20(13-28)23(31)33-5)25-22(30)19(12-16(3)4)27-24(32)34-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,28H,11-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)/t18-,19-,20-/m0/s1
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420n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434763
PNG
(CHEMBL2385817)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C15H20BN3O4/c1-10(2)8-13(16(22)23)18-14(20)9-19-7-5-12-11(15(19)21)4-3-6-17-12/h3-7,10,13,22-23H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
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440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434763
PNG
(CHEMBL2385817)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C15H20BN3O4/c1-10(2)8-13(16(22)23)18-14(20)9-19-7-5-12-11(15(19)21)4-3-6-17-12/h3-7,10,13,22-23H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
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440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434766
PNG
(CHEMBL2385812)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCOCC1)B(O)O |r|
Show InChI InChI=1S/C16H26BN3O5/c1-12(2)9-14(17(23)24)18-15(21)11-20-4-3-13(10-16(20)22)19-5-7-25-8-6-19/h3-4,10,12,14,23-24H,5-9,11H2,1-2H3,(H,18,21)/t14-/m0/s1
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520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007719
PNG
(CHEMBL3233441)
Show SMILES CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O
Show InChI InChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20)
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560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434767
PNG
(CHEMBL2385811)
Show SMILES CCN(CC)c1ccn(CC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c1 |r|
Show InChI InChI=1S/C16H28BN3O4/c1-5-19(6-2)13-7-8-20(16(22)10-13)11-15(21)18-14(17(23)24)9-12(3)4/h7-8,10,12,14,23-24H,5-6,9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434767
PNG
(CHEMBL2385811)
Show SMILES CCN(CC)c1ccn(CC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c1 |r|
Show InChI InChI=1S/C16H28BN3O4/c1-5-19(6-2)13-7-8-20(16(22)10-13)11-15(21)18-14(17(23)24)9-12(3)4/h7-8,10,12,14,23-24H,5-6,9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28763
PNG
((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
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971n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434762
PNG
(CHEMBL2385818)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)n1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H22BN3O4/c1-10(2)9-14(17(23)24)19-15(21)11(3)20-8-6-13-12(16(20)22)5-4-7-18-13/h4-8,10-11,14,23-24H,9H2,1-3H3,(H,19,21)/t11-,14-/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434762
PNG
(CHEMBL2385818)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)n1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H22BN3O4/c1-10(2)9-14(17(23)24)19-15(21)11(3)20-8-6-13-12(16(20)22)5-4-7-18-13/h4-8,10-11,14,23-24H,9H2,1-3H3,(H,19,21)/t11-,14-/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434768
PNG
(CHEMBL2385810)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccccc1=O)B(O)O |r|
Show InChI InChI=1S/C12H19BN2O4/c1-9(2)7-10(13(18)19)14-11(16)8-15-6-4-3-5-12(15)17/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434765
PNG
(CHEMBL2385813)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCCCC1)B(O)O |r|
Show InChI InChI=1S/C17H28BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,11,13,15,24-25H,3-5,7-8,10,12H2,1-2H3,(H,19,22)/t15-/m0/s1
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1.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434766
PNG
(CHEMBL2385812)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCOCC1)B(O)O |r|
Show InChI InChI=1S/C16H26BN3O5/c1-12(2)9-14(17(23)24)18-15(21)11-20-4-3-13(10-16(20)22)19-5-7-25-8-6-19/h3-4,10,12,14,23-24H,5-9,11H2,1-2H3,(H,18,21)/t14-/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007724
PNG
(CHEMBL3233448)
Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCOCC1)B(O)O |r,c:10|
Show InChI InChI=1S/C16H28BN3O5/c1-12(2)9-14(17(23)24)18-15(21)11-20-4-3-13(10-16(20)22)19-5-7-25-8-6-19/h3-4,12-14,23-24H,5-11H2,1-2H3,(H,18,21)/t13?,14-/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007727
PNG
(CHEMBL3233458)
Show SMILES COc1ccc(NC(=O)Cn2ccc(Nc3ccccc3)cc2=O)cc1
Show InChI InChI=1S/C20H19N3O3/c1-26-18-9-7-16(8-10-18)22-19(24)14-23-12-11-17(13-20(23)25)21-15-5-3-2-4-6-15/h2-13,21H,14H2,1H3,(H,22,24)
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1.48E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434763
PNG
(CHEMBL2385817)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C15H20BN3O4/c1-10(2)8-13(16(22)23)18-14(20)9-19-7-5-12-11(15(19)21)4-3-6-17-12/h3-7,10,13,22-23H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434760
PNG
(CHEMBL2385820)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H26BN3O4/c1-11(2)9-14(17(23)24)18-15(21)10-20-8-6-13-12(16(20)22)5-4-7-19(13)3/h6,8,11,14,23-24H,4-5,7,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434760
PNG
(CHEMBL2385820)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H26BN3O4/c1-11(2)9-14(17(23)24)18-15(21)10-20-8-6-13-12(16(20)22)5-4-7-19(13)3/h6,8,11,14,23-24H,4-5,7,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50195935
PNG
(CHEMBL3929092)
Show SMILES CN\C(NS(=O)(=O)c1ccccc1)=N/CCSCc1ccc2ccccc2n1
Show InChI InChI=1S/C20H22N4O2S2/c1-21-20(24-28(25,26)18-8-3-2-4-9-18)22-13-14-27-15-17-12-11-16-7-5-6-10-19(16)23-17/h2-12H,13-15H2,1H3,(H2,21,22,24)
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2.12E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50195934
PNG
(CHEMBL3977256)
Show SMILES CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H34N4O7/c1-16(2)12-21(24(34)28-20(23(27)33)13-17-8-10-19(32)11-9-17)29-25(35)22(14-31)30-26(36)37-15-18-6-4-3-5-7-18/h3-11,16,20-22,31-32H,12-15H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35)(H,30,36)
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2.18E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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2.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434760
PNG
(CHEMBL2385820)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H26BN3O4/c1-11(2)9-14(17(23)24)18-15(21)10-20-8-6-13-12(16(20)22)5-4-7-19(13)3/h6,8,11,14,23-24H,4-5,7,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434767
PNG
(CHEMBL2385811)
Show SMILES CCN(CC)c1ccn(CC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c1 |r|
Show InChI InChI=1S/C16H28BN3O4/c1-5-19(6-2)13-7-8-20(16(22)10-13)11-15(21)18-14(17(23)24)9-12(3)4/h7-8,10,12,14,23-24H,5-6,9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
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4.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50195936
PNG
(CHEMBL3612420)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O8/c1-17(2)13-21(24(33)29-22(26(35)37-3)14-18-9-11-20(32)12-10-18)28-25(34)23(15-31)30-27(36)38-16-19-7-5-4-6-8-19/h4-12,17,21-23,31-32H,13-16H2,1-3H3,(H,28,34)(H,29,33)(H,30,36)/t21-,22-,23-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O |r|
Show InChI InChI=1S/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
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5.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluoresce...


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
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 |r|
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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5.52E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50434769
PNG
(CHEMBL2385816)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(cc1=O)N1CCN(CC=C)CC1)B(O)O |r|
Show InChI InChI=1S/C19H31BN4O4/c1-4-6-22-8-10-23(11-9-22)16-5-7-24(19(26)13-16)14-18(25)21-17(20(27)28)12-15(2)3/h4-5,7,13,15,17,27-28H,1,6,8-12,14H2,2-3H3,(H,21,25)/t17-/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay


Eur J Med Chem 64: 23-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.032
BindingDB Entry DOI: 10.7270/Q2S46TC8
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50007720
PNG
(CHEMBL3233459)
Show SMILES O=C(Cn1ccc(Nc2ccccc2)cc1=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C26H21N3O3/c30-24(18-29-16-15-21(17-25(29)31)27-20-11-5-2-6-12-20)28-23-14-8-7-13-22(23)26(32)19-9-3-1-4-10-19/h1-17,27H,18H2,(H,28,30)
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6.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic alpha-chymotrypsin activity assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 mins


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007726
PNG
(CHEMBL3233455)
Show SMILES O=C(Cn1ccccc1=O)NC12CC3CC(CC(C3)C1)C2 |THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C17H22N2O2/c20-15(11-19-4-2-1-3-16(19)21)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2,(H,18,20)
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7.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007723
PNG
(CHEMBL3233447)
Show SMILES CC(C)CCNC(=O)Cn1ccc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C16H25N3O3/c1-13(2)3-5-17-15(20)12-19-6-4-14(11-16(19)21)18-7-9-22-10-8-18/h4,6,11,13H,3,5,7-10,12H2,1-2H3,(H,17,20)
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7.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007720
PNG
(CHEMBL3233459)
Show SMILES O=C(Cn1ccc(Nc2ccccc2)cc1=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C26H21N3O3/c30-24(18-29-16-15-21(17-25(29)31)27-20-11-5-2-6-12-20)28-23-14-8-7-13-22(23)26(32)19-9-3-1-4-10-19/h1-17,27H,18H2,(H,28,30)
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8.03E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50195934
PNG
(CHEMBL3977256)
Show SMILES CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H34N4O7/c1-16(2)12-21(24(34)28-20(23(27)33)13-17-8-10-19(32)11-9-17)29-25(35)22(14-31)30-26(36)37-15-18-6-4-3-5-7-18/h3-11,16,20-22,31-32H,12-15H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35)(H,30,36)
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8.59E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50007721
PNG
(CHEMBL3233443)
Show SMILES CC(C)CCNC(=O)Cn1ccc2NCCCc2c1=O
Show InChI InChI=1S/C15H23N3O2/c1-11(2)5-8-17-14(19)10-18-9-6-13-12(15(18)20)4-3-7-16-13/h6,9,11,16H,3-5,7-8,10H2,1-2H3,(H,17,19)
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1.01E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...


Eur J Med Chem 76: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.022
BindingDB Entry DOI: 10.7270/Q23N24XM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50195933
PNG
(CHEMBL3612421)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O7/c1-18(2)14-22(26(34)36-3)29-24(32)21(15-19-10-6-4-7-11-19)28-25(33)23(16-31)30-27(35)37-17-20-12-8-5-9-13-20/h4-13,18,21-23,31H,14-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,35)/t21-,22-,23-/m0/s1
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1.03E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...


Eur J Med Chem 121: 578-591 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.049
BindingDB Entry DOI: 10.7270/Q28C9Z6K
More data for this
Ligand-Target Pair
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