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SMILES: ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1

InChI Key: InChIKey=OMJQMYFFOQKXJX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 421500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a 750n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a<500n/an/an/an/an/an/a



FORMA Therapeutics, Inc.; H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
The probe binding HDAC11 assay was performed using a time resolved fluorescence (TRF) assay format. Recombinant N-terminal GST tag full-length human ...


US Patent US10538496 (2020)


BindingDB Entry DOI: 10.7270/Q24J0HJR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM421500
PNG
(US10508088, Example 1-1 | US10508088, ID HDTK010 |...)
Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)
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n/an/a 7.50E+3n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...


US Patent US10508088 (2019)


BindingDB Entry DOI: 10.7270/Q2280B04
More data for this
Ligand-Target Pair