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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'franzoni' and Initial = 'i'   
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455887
PNG
(CHEMBL4204982)
Show SMILES Cn1c(CCC(O)=O)nc2ccccc2c1=O
Show InChI InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455887
PNG
(CHEMBL4204982)
Show SMILES Cn1c(CCC(O)=O)nc2ccccc2c1=O
Show InChI InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged full length HDAC6 (unknown origin) expressed in Sf9 insec...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455900
PNG
(CHEMBL4215676)
Show SMILES OC(=O)CCc1nc2cc3nc(CCC(O)=O)sc3cc2s1
Show InChI InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455896
PNG
(CHEMBL4206721)
Show SMILES OC(=O)CCc1nc2ccccc2c2nc(=O)c(Cc3ccccc3)nn12
Show InChI InChI=1S/C20H16N4O3/c25-18(26)11-10-17-21-15-9-5-4-8-14(15)19-22-20(27)16(23-24(17)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,25,26)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455892
PNG
(CHEMBL4218728)
Show SMILES COc1cc2ncn(CC(O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C12H12N2O5/c1-18-9-3-7-8(4-10(9)19-2)13-6-14(12(7)17)5-11(15)16/h3-4,6H,5H2,1-2H3,(H,15,16)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455886
PNG
(CHEMBL1416133)
Show SMILES COc1nc2ccccc2nc1CCC(O)=O
Show InChI InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455902
PNG
(CHEMBL1708622)
Show SMILES OC(=O)Cn1cnc2c3ccccc3oc2c1=O
Show InChI InChI=1S/C12H8N2O4/c15-9(16)5-14-6-13-10-7-3-1-2-4-8(7)18-11(10)12(14)17/h1-4,6H,5H2,(H,15,16)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
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n/an/a 5.50E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242197
PNG
(CHEMBL4102489)
Show SMILES OC(=O)CCc1nc2ccccc2nc1Sc1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-16(21)11-10-15-17(22-12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)18-15/h1-9H,10-11H2,(H,20,21)
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n/an/a 6.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242202
PNG
(CHEMBL4068652)
Show SMILES Cn1c2ccccc2nc(CCC(O)=O)c1=O
Show InChI InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242202
PNG
(CHEMBL4068652)
Show SMILES Cn1c2ccccc2nc(CCC(O)=O)c1=O
Show InChI InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 7.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455890
PNG
(CHEMBL4215552)
Show SMILES OC(=O)Cn1cnc2c(C#N)c3CCCCn3c2c1=O
Show InChI InChI=1S/C13H12N4O3/c14-5-8-9-3-1-2-4-17(9)12-11(8)15-7-16(13(12)20)6-10(18)19/h7H,1-4,6H2,(H,18,19)
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455897
PNG
(CHEMBL4209794)
Show SMILES COc1cc2ncn(CCC(O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C13H14N2O5/c1-19-10-5-8-9(6-11(10)20-2)14-7-15(13(8)18)4-3-12(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455898
PNG
(CHEMBL4204813)
Show SMILES Cn1c(CCC(O)=O)nc2ccccc12
Show InChI InChI=1S/C11H12N2O2/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242193
PNG
(CHEMBL4065929)
Show SMILES OC(=O)CCc1nc2ccccc2nc1OCCOc1ccccn1
Show InChI InChI=1S/C18H17N3O4/c22-17(23)9-8-15-18(21-14-6-2-1-5-13(14)20-15)25-12-11-24-16-7-3-4-10-19-16/h1-7,10H,8-9,11-12H2,(H,22,23)
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n/an/a 1.10E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242192
PNG
(CHEMBL4079348)
Show SMILES Cn1ccnc1COc1nc2ccccc2nc1CCC(O)=O
Show InChI InChI=1S/C16H16N4O3/c1-20-9-8-17-14(20)10-23-16-13(6-7-15(21)22)18-11-4-2-3-5-12(11)19-16/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
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n/an/a 1.40E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455903
PNG
(CHEMBL1527237)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-8-16-15(10-13)20-14(7-9-17(22)23)18(24)21(16)11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,22,23)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455888
PNG
(CHEMBL4203995)
Show SMILES OC(=O)CCc1nc2ccccc2s1
Show InChI InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
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n/an/a 1.80E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242194
PNG
(CHEMBL4079465)
Show SMILES Cc1cccc(OCCOc2nc3ccccc3nc2CCC(O)=O)c1
Show InChI InChI=1S/C20H20N2O4/c1-14-5-4-6-15(13-14)25-11-12-26-20-18(9-10-19(23)24)21-16-7-2-3-8-17(16)22-20/h2-8,13H,9-12H2,1H3,(H,23,24)
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n/an/a 1.80E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455891
PNG
(CHEMBL4211769)
Show SMILES Cc1cc(C)c2c(n1)sc1c2ncn(CC(O)=O)c1=O
Show InChI InChI=1S/C13H11N3O3S/c1-6-3-7(2)15-12-9(6)10-11(20-12)13(19)16(5-14-10)4-8(17)18/h3,5H,4H2,1-2H3,(H,17,18)
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n/an/a 1.90E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455889
PNG
(CHEMBL4207434)
Show SMILES OC(=O)Cn1nc(O)c2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O4/c13-8(14)5-12-10(16)7-4-2-1-3-6(7)9(15)11-12/h1-4H,5H2,(H,11,15)(H,13,14)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455901
PNG
(CHEMBL284979)
Show SMILES OC(=O)Cn1cnc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50234922
PNG
(CHEMBL1892587)
Show SMILES OC(=O)CCc1nc(O)c2ccccc2n1
Show InChI InChI=1S/C11H10N2O3/c14-10(15)6-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
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n/an/a 2.30E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455893
PNG
(CHEMBL4211548)
Show SMILES OC(=O)CCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
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n/an/a 2.40E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242198
PNG
(CHEMBL4095967)
Show SMILES OC(=O)CCc1nc2ccccc2nc1OCc1ccccn1
Show InChI InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22)
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n/an/a 2.70E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242195
PNG
(CHEMBL4084541)
Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1
Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
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n/an/a 3.50E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455894
PNG
(CHEMBL4212057)
Show SMILES OC(=O)Cc1nc2ccccc2s1
Show InChI InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)
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n/an/a 3.90E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455895
PNG
(CHEMBL4214608)
Show SMILES NC(=O)c1cc(cs1)-n1c(CCC(O)=O)nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-15(21)12-7-9(8-22-12)18-11-4-2-1-3-10(11)17-13(18)5-6-14(19)20/h1-4,7-8H,5-6H2,(H2,16,21)(H,19,20)
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n/an/a 6.40E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455899
PNG
(CHEMBL4218506)
Show SMILES OC(=O)CCc1ccc2ccccc2n1
Show InChI InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
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n/an/a>7.20E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242195
PNG
(CHEMBL4084541)
Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1
Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
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n/an/an/a 2.20E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avi-tagged/C-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) e...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
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n/an/an/a 4.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242195
PNG
(CHEMBL4084541)
Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1
Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
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n/an/an/a 2.10E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) expressed in Escherichi...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
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n/an/an/a 6.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avi-tagged/C-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) e...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455887
PNG
(CHEMBL4204982)
Show SMILES Cn1c(CCC(O)=O)nc2ccccc2c1=O
Show InChI InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated HDAC6 ZnF-UBD (unknown origin) by surface plasmon resonance method


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455900
PNG
(CHEMBL4215676)
Show SMILES OC(=O)CCc1nc2cc3nc(CCC(O)=O)sc3cc2s1
Show InChI InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20)
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated HDAC6 ZnF-UBD (unknown origin) by surface plasmon resonance method


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530938
PNG
(CHEMBL4451435)
Show SMILES OC(=O)CCc1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2O3/c12-8-3-1-7(2-4-8)11-14-13-9(17-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
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n/an/an/a 4.50E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
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n/an/an/a 2.20E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530939
PNG
(CHEMBL4440506)
Show SMILES CC(C)c1ccc(cc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C13H16O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
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n/an/an/a 8.00E+4n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
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n/an/an/a 2.20E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530940
PNG
(CHEMBL4529640)
Show SMILES CC(CC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O3/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)
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n/an/an/a 7.00E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530941
PNG
(CHEMBL4435093)
Show SMILES COc1ccc(Br)c(c1)-c1nnc(CCC(O)=O)o1
Show InChI InChI=1S/C12H11BrN2O4/c1-18-7-2-3-9(13)8(6-7)12-15-14-10(19-12)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
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n/an/an/a 2.70E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530942
PNG
(CHEMBL4573416)
Show SMILES OC(=O)Cn1cc2ccccc2n1
Show InChI InChI=1S/C9H8N2O2/c12-9(13)6-11-5-7-3-1-2-4-8(7)10-11/h1-5H,6H2,(H,12,13)
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n/an/an/a 9.30E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530943
PNG
(CHEMBL4532335)
Show SMILES OC(=O)Cc1nc2ccccc2o1
Show InChI InChI=1S/C9H7NO3/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)
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n/an/an/a 7.70E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530944
PNG
(CHEMBL4460800)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)
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n/an/an/a 1.70E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530945
PNG
(CHEMBL1450722)
Show SMILES OC(=O)CCn1nnc(n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4O2/c15-9(16)6-7-14-12-10(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
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n/an/an/a 5.30E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530946
PNG
(CHEMBL4563831)
Show SMILES OC(=O)CCc1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C12H11NO3/c14-12(15)7-6-11-13-8-10(16-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
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n/an/an/a 9.10E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50530947
PNG
(CHEMBL4465377)
Show SMILES OC(=O)CCc1nnc(o1)-c1ccccc1I
Show InChI InChI=1S/C11H9IN2O3/c12-8-4-2-1-3-7(8)11-14-13-9(17-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
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n/an/an/a 2.80E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50455901
PNG
(CHEMBL284979)
Show SMILES OC(=O)Cn1cnc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)
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n/an/an/a 2.50E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
BindingDB Entry DOI: 10.7270/Q23R0XBS
More data for this
Ligand-Target Pair
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