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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50044575   
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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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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021350
PNG
(CHEMBL3287940)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021352
PNG
(CHEMBL3287943)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1
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53n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021348
PNG
(CHEMBL3287937)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H22BN3O4/c1-11(2)10-14(17(23)24)19-15(21)6-9-20-8-5-13-12(16(20)22)4-3-7-18-13/h3-5,7-8,11,14,23-24H,6,9-10H2,1-2H3,(H,19,21)/t14-/m0/s1
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57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021353
PNG
(CHEMBL3287944)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C17H22BBrN2O4/c1-11(2)9-15(18(24)25)20-16(22)6-8-21-7-5-12-3-4-13(19)10-14(12)17(21)23/h3-5,7,10-11,15,24-25H,6,8-9H2,1-2H3,(H,20,22)/t15-/m0/s1
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021355
PNG
(CHEMBL3287946)
Show SMILES CC(C)CCNC(=O)CCn1cc(Br)c2ncccc2c1=O
Show InChI InChI=1S/C16H20BrN3O2/c1-11(2)5-8-18-14(21)6-9-20-10-13(17)15-12(16(20)22)4-3-7-19-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,21)
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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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021351
PNG
(CHEMBL3287942)
Show SMILES COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC |r|
Show InChI InChI=1S/C19H27BN2O6/c1-12(2)9-17(20(25)26)21-18(23)6-8-22-7-5-13-10-15(27-3)16(28-4)11-14(13)19(22)24/h5,7,10-12,17,25-26H,6,8-9H2,1-4H3,(H,21,23)/t17-/m0/s1
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85n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021350
PNG
(CHEMBL3287940)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50021352
PNG
(CHEMBL3287943)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1
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290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021352
PNG
(CHEMBL3287943)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
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490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021348
PNG
(CHEMBL3287937)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ncccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H22BN3O4/c1-11(2)10-14(17(23)24)19-15(21)6-9-20-8-5-13-12(16(20)22)4-3-7-18-13/h3-5,7-8,11,14,23-24H,6,9-10H2,1-2H3,(H,19,21)/t14-/m0/s1
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690n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
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990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021351
PNG
(CHEMBL3287942)
Show SMILES COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC |r|
Show InChI InChI=1S/C19H27BN2O6/c1-12(2)9-17(20(25)26)21-18(23)6-8-22-7-5-13-10-15(27-3)16(28-4)11-14(13)19(22)24/h5,7,10-12,17,25-26H,6,8-9H2,1-4H3,(H,21,23)/t17-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
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 PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50021353
PNG
(CHEMBL3287944)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C17H22BBrN2O4/c1-11(2)9-15(18(24)25)20-16(22)6-8-21-7-5-12-3-4-13(19)10-14(12)17(21)23/h3-5,7,10-11,15,24-25H,6,8-9H2,1-2H3,(H,20,22)/t15-/m0/s1
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2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021356
PNG
(CHEMBL3287947)
Show SMILES CC(C)CCNC(=O)Cn1ccc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C16H19BrN2O2/c1-11(2)5-7-18-15(20)10-19-8-6-12-3-4-13(17)9-14(12)16(19)21/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,20)
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2.34E+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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
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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2.40E+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 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50021354
PNG
(CHEMBL3287945)
Show SMILES CC(C)CCNC(=O)CCn1ccc2ncccc2c1=O
Show InChI InChI=1S/C16H21N3O2/c1-12(2)5-9-18-15(20)7-11-19-10-6-14-13(16(19)21)4-3-8-17-14/h3-4,6,8,10,12H,5,7,9,11H2,1-2H3,(H,18,20)
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4.57E+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 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50021349
PNG
(CHEMBL3287939)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O |r|
Show InChI InChI=1S/C16H21BN2O4/c1-11(2)9-14(17(22)23)18-15(20)10-19-8-7-12-5-3-4-6-13(12)16(19)21/h3-8,11,14,22-23H,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
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9.11E+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 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(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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1.76E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50021353
PNG
(CHEMBL3287944)
Show SMILES CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc2c1=O)B(O)O |r|
Show InChI InChI=1S/C17H22BBrN2O4/c1-11(2)9-15(18(24)25)20-16(22)6-8-21-7-5-12-3-4-13(19)10-14(12)17(21)23/h3-5,7,10-11,15,24-25H,6,8-9H2,1-2H3,(H,20,22)/t15-/m0/s1
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2.37E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay


Eur J Med Chem 83: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.017
BindingDB Entry DOI: 10.7270/Q2DZ09WC
More data for this
Ligand-Target Pair