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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'tamborini' and Initial = 'l'   
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
20S proteasome chymotrypsin-like


(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
Show InChI InChI=1/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-/s2
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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)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50123588
PNG
(CHEMBL297258)
Show SMILES Nc1nc2NCC3CN(C(=O)N3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)
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29n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Competitive inhibition of human FolD dehydrogenase activity


J Med Chem 58: 7938-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00687
BindingDB Entry DOI: 10.7270/Q2SN0BSR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434764
PNG
(CHEMBL2385814)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434761
PNG
(CHEMBL2385819)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50007725
PNG
(CHEMBL3233450)
Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCCCC1)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434763
PNG
(CHEMBL2385817)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(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
20S proteasome chymotrypsin-like


(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
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434762
PNG
(CHEMBL2385818)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)n1ccc2ncccc2c1=O)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50007724
PNG
(CHEMBL3233448)
Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCOCC1)B(O)O
Show InChI InChI=1/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-/s2
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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
20S proteasome chymotrypsin-like


(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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50434760
PNG
(CHEMBL2385820)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O
Show InChI InChI=1/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-/s2
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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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128352
PNG
(CHEMBL3629184)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14?,15-,16?/s2
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2.62E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128350
PNG
(CHEMBL3629186)
Show SMILES BrC1=NO[C@@H]2CN(C[C@H]12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15-,16+/s2
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2.73E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128351
PNG
(CHEMBL3629185)
Show SMILES BrC1=NO[C@H]2CN(C[C@@H]12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15+,16+/s2
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3.35E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128345
PNG
(CHEMBL3629346)
Show SMILES [O-][N+](=O)c1ccc(COC(=O)N[C@@H](CCc2ccccc2)C(=O)N2C[C@H]3ON=C(Br)[C@H]3C2)cc1
Show InChI InChI=1/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/s2
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6.81E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50007726
PNG
(CHEMBL3233455)
Show SMILES O=C(Cn1ccccc1=O)NC12CC3CC(CC(C3)C1)C2
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
20S proteasome chymotrypsin-like


(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
20S proteasome chymotrypsin-like


(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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128349
PNG
(CHEMBL3629339)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1CC2ON=C(Br)C2C1
Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10?,11-,12?/s2
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8.36E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128354
PNG
(CHEMBL3629181)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C22H22BrN3O4/c23-20-17-12-26(13-19(17)30-25-20)21(27)18(11-15-7-3-1-4-8-15)24-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,24,28)/t17?,18-,19?/s2
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8.41E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128347
PNG
(CHEMBL3629341)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1
Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/s2
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8.52E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128348
PNG
(CHEMBL3629340)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1C[C@@H]2ON=C(Br)[C@@H]2C1
Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11+,12+/s2
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9.05E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128346
PNG
(CHEMBL3629344)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2ON=C(Br)C2C1
Show InChI InChI=1/C16H26BrN3O4/c1-9(2)6-11(18-15(22)23-16(3,4)5)14(21)20-7-10-12(8-20)24-19-13(10)17/h9-12H,6-8H2,1-5H3,(H,18,22)/t10?,11-,12?/s2
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1.36E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128355
PNG
(CHEMBL3629180)
Show SMILES BrC1=NO[C@@H]2CN(C[C@H]12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14-,15+/s2
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1.51E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128356
PNG
(CHEMBL3629179)
Show SMILES BrC1=NO[C@H]2CN(C[C@@H]12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14+,15+/s2
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1.66E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128357
PNG
(CHEMBL3629178)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13?,14-,15?/s2
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1.68E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128353
PNG
(CHEMBL3629183)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2ON=C(Br)C2C1
Show InChI InChI=1/C19H24BrN3O4/c1-19(2,3)26-18(25)21-14(9-12-7-5-4-6-8-12)17(24)23-10-13-15(11-23)27-22-16(13)20/h4-8,13-15H,9-11H2,1-3H3,(H,21,25)/t13?,14-,15?/s2
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1.77E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Proteasome component C5


(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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2.23E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit assessed as Cbz-Leu-Leu-Glu-AMC substrate hydrolysis after 10 mins by fluo...


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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 9.30n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 170n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 200n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 210n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 390n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50326167
PNG
(CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1
Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)
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n/an/a 430n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50326168
PNG
(CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1
Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)
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n/an/a 760n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50436754
PNG
(CHEMBL2402103)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 56: 5637-58 (2014)


Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50436753
PNG
(CHEMBL2402107)
Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 56: 5637-58 (2014)


Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50436751
PNG
(CHEMBL2402109)
Show SMILES O=C(NC(=S)Nc1ncccc1OCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H20N4O4S2/c29-23(20-13-8-16-28(20)34(30,31)19-11-5-2-6-12-19)27-24(33)26-22-21(14-7-15-25-22)32-17-18-9-3-1-4-10-18/h1-16H,17H2,(H2,25,26,27,29,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 56: 5637-58 (2014)


Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50436752
PNG
(CHEMBL2402102)
Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F
Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 56: 5637-58 (2014)


Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT1 expressed in Sf9 cells assessed as incorporation of [3H]S-adenosyl methionine into hemimethylated oligonucleoti...


J Med Chem 54: 7663-77 (2011)


Article DOI: 10.1021/jm2010404
BindingDB Entry DOI: 10.7270/Q28S4Q98
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50326167
PNG
(CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1
Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)
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n/an/a 4.95E+3n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50436750
PNG
(CHEMBL2402106)
Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 56: 5637-58 (2014)


Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50326167
PNG
(CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1
Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)
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n/an/a 9.05E+3n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50326168
PNG
(CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1
Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50326167
PNG
(CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1
Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50326168
PNG
(CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...)
Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1
Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)
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n/an/a 2.39E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


Eur J Med Chem 45: 4331-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.035
BindingDB Entry DOI: 10.7270/Q20Z73GF
More data for this
Ligand-Target Pair
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