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Compile Data Set for Download or QSAR

Found 672 hits with Last Name = 'hsu' and Initial = 'kc'   
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
Lysine-specific demethylase 4B


(Homo sapiens (Human))		BDBM50047962
PNG
(CHEMBL1966136)
Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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 3.00E+3n/an/an/an/an/an/an/an/a



National Tsing-Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM4B (1 to 348 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by dou...

J Med Chem 57: 5975-85 (2014)


Article DOI: 10.1021/jm500249n
BindingDB Entry DOI: 10.7270/Q2QC0557
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50047962
PNG
(CHEMBL1966136)
Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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 5.50E+3n/an/an/an/an/an/an/an/a



National Tsing-Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by dou...

J Med Chem 57: 5975-85 (2014)


Article DOI: 10.1021/jm500249n
BindingDB Entry DOI: 10.7270/Q2QC0557
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 0.610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00966
BindingDB Entry DOI: 10.7270/Q2X352D4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50551233
PNG
(CHEMBL4790152)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3C2)c(O)cc1O
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206326
PNG
(CHEMBL3973923)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H33N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h7-8,12-13,15,18-20,30,32,34H,2-6,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay

Eur J Med Chem 162: 612-630 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50458571
PNG
(CHEMBL4218266)
Show SMILES COc1ccc(cc1)C(=O)c1ccc2n(Cc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H20N2O4/c1-30-21-9-6-17(7-10-21)23(27)20-8-11-22-19(14-20)12-13-26(22)15-16-2-4-18(5-3-16)24(28)25-29/h2-14,29H,15H2,1H3,(H,25,28)
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n/an/a 3.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50285592
PNG
(CHEMBL4176214)
Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC
Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)
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n/an/a 3.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50285589
PNG
(CHEMBL4159460)
Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1
Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)
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n/an/a 4.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113338
BindingDB Entry DOI: 10.7270/Q2T72N6S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50569283
PNG
(CHEMBL4871938)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |TLB:12:9:4:7.2.1,0:1:4:10.9.8,THB:2:3:8:7.1.11,2:1:4.3.10:8,11:1:4:10.9.8,11:9:4:7.2.1|
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113338
BindingDB Entry DOI: 10.7270/Q2T72N6S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50285589
PNG
(CHEMBL4159460)
Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1
Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)
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n/an/a 5.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50588335
PNG
(CHEMBL5170163)
Show SMILES C[C@H](Cc1ccccc1)N(C)C(C)C#C |r|
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n/an/a 6.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00966
BindingDB Entry DOI: 10.7270/Q2X352D4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50458585
PNG
(CHEMBL4206537)
Show SMILES ONC(=O)c1ccc(Cn2ccc3cc(ccc23)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H17ClN2O3/c24-20-8-5-16(6-9-20)22(27)19-7-10-21-18(13-19)11-12-26(21)14-15-1-3-17(4-2-15)23(28)25-29/h1-13,29H,14H2,(H,25,28)
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n/an/a 6.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113338
BindingDB Entry DOI: 10.7270/Q2T72N6S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubat...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50285592
PNG
(CHEMBL4176214)
Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC
Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)
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n/an/a 7.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517568
PNG
(CHEMBL4438566)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206328
PNG
(CHEMBL3932696)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2OC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O9/c1-11(32)25-19-13(7-17(22(36)37)39-21(19)20(35)15(33)10-31)26-23(24)27-18(34)9-30-8-14(28-29-30)12-5-3-4-6-16(12)38-2/h3-8,13,15,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,19+,20+,21+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50285590
PNG
(CHEMBL4172420)
Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC
Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)
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n/an/a 8.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206329
PNG
(CHEMBL3982739)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26ClN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
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 9.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50458581
PNG
(CHEMBL4215954)
Show SMILES ONC(=O)c1ccc(Cn2ccc3cc(ccc23)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H17FN2O3/c24-20-8-5-16(6-9-20)22(27)19-7-10-21-18(13-19)11-12-26(21)14-15-1-3-17(4-2-15)23(28)25-29/h1-13,29H,14H2,(H,25,28)
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n/an/a 9.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50551231
PNG
(CHEMBL4798549)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50570667
PNG
(CHEMBL4877300)
Show SMILES CSc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517570
PNG
(CHEMBL4530950)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50285591
PNG
(CHEMBL4162183)
Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC
Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)
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n/an/a 9.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50570670
PNG
(CHEMBL4874671)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccc(Cl)cc23)cc1
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206323
PNG
(CHEMBL3924843)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:26|
Show InChI InChI=1S/C22H27N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h2-8,13,15,18-20,30,32,34H,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20?/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206322
PNG
(CHEMBL3974750)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(N)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50285591
PNG
(CHEMBL4162183)
Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC
Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)
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n/an/a 11n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...

Eur J Med Chem 143: 792-805 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.092
BindingDB Entry DOI: 10.7270/Q2ZW1PFR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50570669
PNG
(CHEMBL4877805)
Show SMILES C\C(=N/O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50564437
PNG
(CHEMBL4795285)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4ccc(cc4)C(=O)NO)nc(Cl)nc23)cc1
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n/an/a 11.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluoresce...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112291
BindingDB Entry DOI: 10.7270/Q26W9FT0
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206355
PNG
(CHEMBL3936449)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(N)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-2-4-12(23)5-3-11/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50458570
PNG
(CHEMBL4209463)
Show SMILES Cc1ccc(cc1)C(=O)c1ccc2n(Cc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H20N2O3/c1-16-2-6-18(7-3-16)23(27)21-10-11-22-20(14-21)12-13-26(22)15-17-4-8-19(9-5-17)24(28)25-29/h2-14,29H,15H2,1H3,(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206330
PNG
(CHEMBL3966255)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O9/c1-11(32)25-19-14(7-17(22(36)37)39-21(19)20(35)16(33)10-31)26-23(24)27-18(34)9-30-8-15(28-29-30)12-3-5-13(38-2)6-4-12/h3-8,14,16,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206321
PNG
(CHEMBL3926666)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-4-2-3-5-12(11)23/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKKAc peptide as substrate

J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206359
PNG
(CHEMBL3945341)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(c2)C(=O)OCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C25H31N7O10/c1-3-41-24(40)14-6-4-5-13(7-14)16-9-32(31-30-16)10-19(36)29-25(26)28-15-8-18(23(38)39)42-22(20(15)27-12(2)34)21(37)17(35)11-33/h4-9,15,17,20-22,33,35,37H,3,10-11H2,1-2H3,(H,27,34)(H,38,39)(H3,26,28,29,36)/t15-,17+,20+,21+,22+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206356
PNG
(CHEMBL3955100)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O8/c1-11-3-5-13(6-4-11)15-8-30(29-28-15)9-18(34)27-23(24)26-14-7-17(22(36)37)38-21(19(14)25-12(2)32)20(35)16(33)10-31/h3-8,14,16,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206324
PNG
(CHEMBL3954074)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(F)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26FN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50570674
PNG
(CHEMBL4847771)
Show SMILES NC(=O)c1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517565
PNG
(CHEMBL4472834)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
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TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206327
PNG
(CHEMBL3951461)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2=CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3,t:19|
Show InChI InChI=1S/C22H31N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h5,7-8,13,15,18-20,30,32,34H,2-4,6,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
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