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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50032222   
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
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of isopeptidase T


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of tissue transglutaminase


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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NCI pathway
Reactome pathway
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of caspase3


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM53421
PNG
(4-Cyclohexyl-2-phenyl-quinazoline | 4-cyclohexyl-2...)
Show SMILES C1CCC(CC1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
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n/an/a 600n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326012
PNG
(3-(acetoxyimino)-5-bromo-1-(3,4-dichlorobenzyl)ind...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 |w:4.3|
Show InChI InChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-12-7-11(18)3-5-15(12)22(17(16)24)8-10-2-4-13(19)14(20)6-10/h2-7H,8H2,1H3
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n/an/a 810n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326013
PNG
(3-(acetoxyimino)-5-bromo-1-(2,5-dichlorobenzyl)ind...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc12 |w:4.3|
Show InChI InChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-13-7-11(18)2-5-15(13)22(17(16)24)8-10-6-12(19)3-4-14(10)20/h2-7H,8H2,1H3
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n/an/a 880n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326014
PNG
(3-(acetoxyimino)-1-(3,4-dichlorobenzyl)-5-iodoindo...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(I)cc12 |w:4.3|
Show InChI InChI=1S/C17H11Cl2IN2O3/c1-9(23)25-21-16-12-7-11(20)3-5-15(12)22(17(16)24)8-10-2-4-13(18)14(19)6-10/h2-7H,8H2,1H3
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n/an/a 940n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM50326012
PNG
(3-(acetoxyimino)-5-bromo-1-(3,4-dichlorobenzyl)ind...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 |w:4.3|
Show InChI InChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-12-7-11(18)3-5-15(12)22(17(16)24)8-10-2-4-13(19)14(20)6-10/h2-7H,8H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM50326014
PNG
(3-(acetoxyimino)-1-(3,4-dichlorobenzyl)-5-iodoindo...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(I)cc12 |w:4.3|
Show InChI InChI=1S/C17H11Cl2IN2O3/c1-9(23)25-21-16-12-7-11(20)3-5-15(12)22(17(16)24)8-10-2-4-13(18)14(19)6-10/h2-7H,8H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM50326013
PNG
(3-(acetoxyimino)-5-bromo-1-(2,5-dichlorobenzyl)ind...)
Show SMILES CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc12 |w:4.3|
Show InChI InChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-13-7-11(18)2-5-15(13)22(17(16)24)8-10-6-12(19)3-4-14(10)20/h2-7H,8H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM50326015
PNG
(5-(4-butylphenyl)-4-(4-isopropylphenyl)-4H-1,2,4-t...)
Show SMILES CCCCc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H25N3S/c1-4-5-6-16-7-9-18(10-8-16)20-22-23-21(25)24(20)19-13-11-17(12-14-19)15(2)3/h7-15H,4-6H2,1-3H3,(H,23,25)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1|
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL3 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM53421
PNG
(4-Cyclohexyl-2-phenyl-quinazoline | 4-cyclohexyl-2...)
Show SMILES C1CCC(CC1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
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n/an/a 7.50E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326015
PNG
(5-(4-butylphenyl)-4-(4-isopropylphenyl)-4H-1,2,4-t...)
Show SMILES CCCCc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H25N3S/c1-4-5-6-16-7-9-18(10-8-16)20-22-23-21(25)24(20)19-13-11-17(12-14-19)15(2)3/h7-15H,4-6H2,1-3H3,(H,23,25)
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n/an/a 1.26E+5n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1|
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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n/an/a 2.90E+5n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of UCHL1 in human H1299 cells


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair