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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 273.1
BDBM187138
Wt: 321.2
BDBM187213
Wt: 322.2
BDBM187215
Wt: 335.2
BDBM187217
Wt: 322.2
BDBM187220
Wt: 316.2
BDBM187399
Wt: 320.2
BDBM187610
Wt: 320.2
BDBM187617
Wt: 334.2
BDBM187628
Wt: 321.2
BDBM187629
Wt: 321.2
BDBM187638
Wt: 335.2
BDBM187639
Wt: 321.2
BDBM187993
Wt: 335.2
BDBM188006
Wt: 322.2
BDBM188027
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 45 hits in this display   
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
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187628
PNG
(US9670193, 29 N-(1-phenylethyl)-5-(5-(trifluoromet...)
Show SMILES CC(Nc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)
PDB

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PC sid
UniChem
n/an/a 27n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187213
PNG
(US9670193, 4 N-benzyl-5-(5-(trifluoromethyl)-1,2,4...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)12-21-11(22-23-12)10-7-19-13(20-8-10)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,18,19,20)
PDB

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n/an/a 36n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187638
PNG
(US9670193, 31 N-(pyridin-4-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccncc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-1-2-11(20-8-10)19-7-9-3-5-18-6-4-9/h1-6,8H,7H2,(H,19,20)
PDB

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n/an/a 41n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187215
PNG
(US9670193, 6 N-(pyridin-4-ylmethyl)-5-(5-(trifluor...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-1-3-17-4-2-8/h1-4,6-7H,5H2,(H,18,19,20)
PDB

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n/an/a 44n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM188006
PNG
(US9670193, 41 (R)?N-(1-Phenylethyl)-2-(5-(trifluor...)
Show SMILES C[C@@H](Nc1cnc(nc1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-11-7-19-12(20-8-11)13-22-14(24-23-13)15(16,17)18/h2-9,21H,1H3/t9-/m1/s1
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n/an/a 60n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187639
PNG
(US9670193, 32 N-((6-methylpyridin-3-yl)methyl)-5-(...)
Show SMILES Cc1ccc(CNc2ccc(cn2)-c2noc(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
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n/an/a 63n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187617
PNG
(US9670193, 28 N-benzyl-5-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nc1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
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n/an/a 73n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187629
PNG
(US9670193, 30 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2cccnc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)
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n/an/a 79n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187217
PNG
(US9670193, 7 N-(1-phenylethyl)-5-(5-(trifluorometh...)
Show SMILES CC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-14-19-7-11(8-20-14)12-22-13(24-23-12)15(16,17)18/h2-9H,1H3,(H,19,20,21)
PDB

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n/an/a 120n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187220
PNG
(US9670193, 10 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20)
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n/an/a 140n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM188027
PNG
(US9670193, 43 N-(Pyridin-4-ylmethyl)-2-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ncc(NCc2ccncc2)cn1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2
PDB

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n/an/a 190n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187993
PNG
(US9670193, 40 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nn1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-19-12(22-23-13)10-6-7-11(21-20-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,21)
PDB

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n/an/a 200n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187213
PNG
(US9670193, 4 N-benzyl-5-(5-(trifluoromethyl)-1,2,4...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)12-21-11(22-23-12)10-7-19-13(20-8-10)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,18,19,20)
PDB
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n/an/a 320n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187217
PNG
(US9670193, 7 N-(1-phenylethyl)-5-(5-(trifluorometh...)
Show SMILES CC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-14-19-7-11(8-20-14)12-22-13(24-23-12)15(16,17)18/h2-9H,1H3,(H,19,20,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187138
PNG
(US9670193, 1 N-(5-(5-(trifluoromethyl)-1,2,4-oxadi...)
Show SMILES CC(=O)Nc1cnc(cn1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C9H6F3N5O2/c1-4(18)15-6-3-13-5(2-14-6)7-16-8(19-17-7)9(10,11)12/h2-3H,1H3,(H,14,15,18)
PDB

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n/an/a 460n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187215
PNG
(US9670193, 6 N-(pyridin-4-ylmethyl)-5-(5-(trifluor...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-1-3-17-4-2-8/h1-4,6-7H,5H2,(H,18,19,20)
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n/an/a 620n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187628
PNG
(US9670193, 29 N-(1-phenylethyl)-5-(5-(trifluoromet...)
Show SMILES CC(Nc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)
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n/an/a 640n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187639
PNG
(US9670193, 32 N-((6-methylpyridin-3-yl)methyl)-5-(...)
Show SMILES Cc1ccc(CNc2ccc(cn2)-c2noc(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187993
PNG
(US9670193, 40 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nn1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-19-12(22-23-13)10-6-7-11(21-20-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187215
PNG
(US9670193, 6 N-(pyridin-4-ylmethyl)-5-(5-(trifluor...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-1-3-17-4-2-8/h1-4,6-7H,5H2,(H,18,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187220
PNG
(US9670193, 10 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM188027
PNG
(US9670193, 43 N-(Pyridin-4-ylmethyl)-2-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ncc(NCc2ccncc2)cn1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM188006
PNG
(US9670193, 41 (R)?N-(1-Phenylethyl)-2-(5-(trifluor...)
Show SMILES C[C@@H](Nc1cnc(nc1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-11-7-19-12(20-8-11)13-22-14(24-23-13)15(16,17)18/h2-9,21H,1H3/t9-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187638
PNG
(US9670193, 31 N-(pyridin-4-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccncc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-1-2-11(20-8-10)19-7-9-3-5-18-6-4-9/h1-6,8H,7H2,(H,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187138
PNG
(US9670193, 1 N-(5-(5-(trifluoromethyl)-1,2,4-oxadi...)
Show SMILES CC(=O)Nc1cnc(cn1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C9H6F3N5O2/c1-4(18)15-6-3-13-5(2-14-6)7-16-8(19-17-7)9(10,11)12/h2-3H,1H3,(H,14,15,18)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187629
PNG
(US9670193, 30 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2cccnc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187639
PNG
(US9670193, 32 N-((6-methylpyridin-3-yl)methyl)-5-(...)
Show SMILES Cc1ccc(CNc2ccc(cn2)-c2noc(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187610
PNG
(US9670193, 27 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)cn1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)12-7-6-11(9-20-12)19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2
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n/an/a 2.80E+3n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187617
PNG
(US9670193, 28 N-benzyl-5-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nc1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM188006
PNG
(US9670193, 41 (R)?N-(1-Phenylethyl)-2-(5-(trifluor...)
Show SMILES C[C@@H](Nc1cnc(nc1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-11-7-19-12(20-8-11)13-22-14(24-23-13)15(16,17)18/h2-9,21H,1H3/t9-/m1/s1
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
HDAC4 (aa 2-1084)


(Homo sapiens (Human))
BDBM187399
PNG
(US9670193, 20 (S)?N-(1-hydroxypropan-2-yl)-6-(5-(t...)
Show SMILES C[C@@H](CO)NC(=O)c1ccc(nc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C12H11F3N4O3/c1-6(5-20)17-10(21)7-2-3-8(16-4-7)9-18-11(22-19-9)12(13,14)15/h2-4,6,20H,5H2,1H3,(H,17,21)/t6-/m0/s1
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n/an/a 4.30E+3n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187638
PNG
(US9670193, 31 N-(pyridin-4-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccncc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-1-2-11(20-8-10)19-7-9-3-5-18-6-4-9/h1-6,8H,7H2,(H,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM188027
PNG
(US9670193, 43 N-(Pyridin-4-ylmethyl)-2-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ncc(NCc2ccncc2)cn1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187629
PNG
(US9670193, 30 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2cccnc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187628
PNG
(US9670193, 29 N-(1-phenylethyl)-5-(5-(trifluoromet...)
Show SMILES CC(Nc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187220
PNG
(US9670193, 10 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187993
PNG
(US9670193, 40 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nn1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-19-12(22-23-13)10-6-7-11(21-20-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187610
PNG
(US9670193, 27 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)cn1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)12-7-6-11(9-20-12)19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187217
PNG
(US9670193, 7 N-(1-phenylethyl)-5-(5-(trifluorometh...)
Show SMILES CC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-14-19-7-11(8-20-14)12-22-13(24-23-12)15(16,17)18/h2-9H,1H3,(H,19,20,21)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187213
PNG
(US9670193, 4 N-benzyl-5-(5-(trifluoromethyl)-1,2,4...)
Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)12-21-11(22-23-12)10-7-19-13(20-8-10)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,18,19,20)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187138
PNG
(US9670193, 1 N-(5-(5-(trifluoromethyl)-1,2,4-oxadi...)
Show SMILES CC(=O)Nc1cnc(cn1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C9H6F3N5O2/c1-4(18)15-6-3-13-5(2-14-6)7-16-8(19-17-7)9(10,11)12/h2-3H,1H3,(H,14,15,18)
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187399
PNG
(US9670193, 20 (S)?N-(1-hydroxypropan-2-yl)-6-(5-(t...)
Show SMILES C[C@@H](CO)NC(=O)c1ccc(nc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C12H11F3N4O3/c1-6(5-20)17-10(21)7-2-3-8(16-4-7)9-18-11(22-19-9)12(13,14)15/h2-4,6,20H,5H2,1H3,(H,17,21)/t6-/m0/s1
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM187610
PNG
(US9670193, 27 N-benzyl-6-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)cn1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)12-7-6-11(9-20-12)19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2
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Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187617
PNG
(US9670193, 28 N-benzyl-5-(5-(trifluoromethyl)-1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nc1
Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM187399
PNG
(US9670193, 20 (S)?N-(1-hydroxypropan-2-yl)-6-(5-(t...)
Show SMILES C[C@@H](CO)NC(=O)c1ccc(nc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C12H11F3N4O3/c1-6(5-20)17-10(21)7-2-3-8(16-4-7)9-18-11(22-19-9)12(13,14)15/h2-4,6,20H,5H2,1H3,(H,17,21)/t6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The ...


US Patent US9670193 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2TCV
More data for this
Ligand-Target Pair