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PubMed code 23791076

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens)
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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4.00E+3n/an/an/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate after 60 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens)
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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1.25E+4n/an/an/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 4


(Homo sapiens)
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of human USP4 using Ub-AMC as substrate after 60 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens)
BDBM50437695
PNG
(CHEMBL1923233)
Show SMILES CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of UCH-L1 in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens)
BDBM50437695
PNG
(CHEMBL1923233)
Show SMILES CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of USP5 in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Probable ubiquitin carboxyl-terminal hydrolase FAF-X


(Homo sapiens)
BDBM50437695
PNG
(CHEMBL1923233)
Show SMILES CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of USP9x in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 14


(Homo sapiens)
BDBM50437694
PNG
(CHEMBL1410015)
Show SMILES Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of human USP14


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens)
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate after 60 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens)
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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n/an/a 2.23E+4n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of human UCH-L1 using Ub-AMC as substrate after 60 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%