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27 similar compounds to monomer 50248570

Compile data set for download or QSAR
Wt: 393.4
BDBM1662
Wt: 480.6
BDBM1576
Wt: 365.4
BDBM103534
Wt: 412.4
BDBM103547
Wt: 447.5
BDBM103588
Wt: 434.5
BDBM103589
Wt: 438.5
BDBM103590
Wt: 421.5
BDBM103592
Wt: 450.5
BDBM103600
Wt: 335.3
BDBM50248376
Wt: 432.5
BDBM50248473
Wt: 434.5
BDBM50248474
Wt: 406.5
BDBM50248256
Wt: 418.5
BDBM50248523
Wt: 415.4
BDBM50248524
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 1662,1576,103534,103547,103588,103589,103590,103592,103600,50248376,50248473,50248474,50248256,50248523,50248524   
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))
BDBM1576
PNG
(US10201527, Compound 76 | US8551988, 76)
Show SMILES ONC(=O)\C=C\c1ccc2n(C3CCN(Cc4ccccc4)CC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C30H32N4O2/c35-30(32-36)16-13-24-11-14-28-27(21-24)31-29(15-12-23-7-3-1-4-8-23)34(28)26-17-19-33(20-18-26)22-25-9-5-2-6-10-25/h1-11,13-14,16,21,26,36H,12,15,17-20,22H2,(H,32,35)/b16-13+
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n/an/a 1.03E+3n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103600
PNG
(US10201527, Compound 94 | US8551988, 94)
Show SMILES COc1cccc(CCc2nc3cc(\C=C\C(=O)NO)ccc3n2CC(C)(C)CN(C)C)c1
Show InChI InChI=1S/C26H34N4O3/c1-26(2,17-29(3)4)18-30-23-12-9-20(11-14-25(31)28-32)16-22(23)27-24(30)13-10-19-7-6-8-21(15-19)33-5/h6-9,11-12,14-16,32H,10,13,17-18H2,1-5H3,(H,28,31)/b14-11+
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n/an/a 52n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103588
PNG
(US10201527, Compound 81 | US8551988, 81)
Show SMILES CN1CCN(CCCn2c(CCc3ccccc3)nc3cc(\C=C\C(=O)NO)ccc23)CC1
Show InChI InChI=1S/C26H33N5O2/c1-29-16-18-30(19-17-29)14-5-15-31-24-11-8-22(10-13-26(32)28-33)20-23(24)27-25(31)12-9-21-6-3-2-4-7-21/h2-4,6-8,10-11,13,20,33H,5,9,12,14-19H2,1H3,(H,28,32)/b13-10+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248523
PNG
(CHEMBL489330 | N-hydroxy-3-(2-phenethyl-1-(3-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-2-1-3-8-20)29(23)18-6-17-28-15-4-5-16-28/h1-3,7-9,11-12,14,19,31H,4-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 304n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103589
PNG
(US10201527, Compound 83 | US8551988, 83)
Show SMILES CN(C)CC(C)(C)Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C26H34N4O2/c1-26(2,18-29(3)4)19-30-23-15-13-21(14-16-25(31)28-32)17-22(23)27-24(30)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,13-17,32H,8,11-12,18-19H2,1-4H3,(H,28,31)/b16-14+
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n/an/a 71n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103590
PNG
(US10201527, Compound 84 | US8551988, 84)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccc(F)cc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H31FN4O2/c1-25(2,16-29(3)4)17-30-22-12-7-19(9-14-24(31)28-32)15-21(22)27-23(30)13-8-18-5-10-20(26)11-6-18/h5-7,9-12,14-15,32H,8,13,16-17H2,1-4H3,(H,28,31)/b14-9+
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n/an/a 54n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103592
PNG
(US10201527, Compound 86 | US8551988, 86)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2cccnc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H31N5O2/c1-24(2,16-28(3)4)17-29-21-10-7-18(9-12-23(30)27-31)14-20(21)26-22(29)11-8-19-6-5-13-25-15-19/h5-7,9-10,12-15,31H,8,11,16-17H2,1-4H3,(H,27,30)/b12-9+
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n/an/a 400n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103600
PNG
(US10201527, Compound 94 | US8551988, 94)
Show SMILES COc1cccc(CCc2nc3cc(\C=C\C(=O)NO)ccc3n2CC(C)(C)CN(C)C)c1
Show InChI InChI=1S/C26H34N4O3/c1-26(2,17-29(3)4)18-30-23-12-9-20(11-14-25(31)28-32)16-22(23)27-24(30)13-10-19-7-6-8-21(15-19)33-5/h6-9,11-12,14-16,32H,10,13,17-18H2,1-5H3,(H,28,31)/b14-11+
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n/an/a 52n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 251n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103547
PNG
(US10201527, Compound 27 | US8551988, 27)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+
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n/an/a 329n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 724n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 1.09E+3n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 171n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103547
PNG
(US10201527, Compound 27 | US8551988, 27)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+
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n/an/a 92n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 195n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 246n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248524
PNG
(3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+
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n/an/a 158n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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n/an/a 220n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 200n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 250n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248523
PNG
(CHEMBL489330 | N-hydroxy-3-(2-phenethyl-1-(3-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-2-1-3-8-20)29(23)18-6-17-28-15-4-5-16-28/h1-3,7-9,11-12,14,19,31H,4-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 310n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248524
PNG
(3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+
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n/an/a 160n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248256
PNG
(3-(1-(4-(dimethylamino)butyl)-2-phenethyl-1H-benzo...)
Show SMILES CN(C)CCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N4O2/c1-27(2)16-6-7-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-4-3-5-9-19/h3-5,8-10,12-13,15,18,30H,6-7,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
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n/an/a 160n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 171n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 251n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103547
PNG
(US10201527, Compound 27 | US8551988, 27)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+
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n/an/a 92n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103547
PNG
(US10201527, Compound 27 | US8551988, 27)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+
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n/an/a 329n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 195n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 724n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 246n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 1.09E+3n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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n/an/a 218n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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US Patent
n/an/a 148n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 3.30E+3n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 441n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248524
PNG
(3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+
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n/an/a 158n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248256
PNG
(3-(1-(4-(dimethylamino)butyl)-2-phenethyl-1H-benzo...)
Show SMILES CN(C)CCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N4O2/c1-27(2)16-6-7-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-4-3-5-9-19/h3-5,8-10,12-13,15,18,30H,6-7,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
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n/an/a 153n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM1576
PNG
(US10201527, Compound 76 | US8551988, 76)
Show SMILES ONC(=O)\C=C\c1ccc2n(C3CCN(Cc4ccccc4)CC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C30H32N4O2/c35-30(32-36)16-13-24-11-14-28-27(21-24)31-29(15-12-23-7-3-1-4-8-23)34(28)26-17-19-33(20-18-26)22-25-9-5-2-6-10-25/h1-11,13-14,16,21,26,36H,12,15,17-20,22H2,(H,32,35)/b16-13+
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n/an/a 1.03E+3n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM1662
PNG
(US10201527, Compound 78 | US8551988, 78)
Show SMILES OCCCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C23H27N3O3/c27-16-6-2-5-15-26-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(26)13-10-18-7-3-1-4-8-18/h1,3-4,7-9,11-12,14,17,27,29H,2,5-6,10,13,15-16H2,(H,25,28)/b14-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103588
PNG
(US10201527, Compound 81 | US8551988, 81)
Show SMILES CN1CCN(CCCn2c(CCc3ccccc3)nc3cc(\C=C\C(=O)NO)ccc23)CC1
Show InChI InChI=1S/C26H33N5O2/c1-29-16-18-30(19-17-29)14-5-15-31-24-11-8-22(10-13-26(32)28-33)20-23(24)27-25(31)12-9-21-6-3-2-4-7-21/h2-4,6-8,10-11,13,20,33H,5,9,12,14-19H2,1H3,(H,28,32)/b13-10+
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n/an/a 1.60E+3n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248523
PNG
(CHEMBL489330 | N-hydroxy-3-(2-phenethyl-1-(3-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-2-1-3-8-20)29(23)18-6-17-28-15-4-5-16-28/h1-3,7-9,11-12,14,19,31H,4-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 304n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103589
PNG
(US10201527, Compound 83 | US8551988, 83)
Show SMILES CN(C)CC(C)(C)Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C26H34N4O2/c1-26(2,18-29(3)4)19-30-23-15-13-21(14-16-25(31)28-32)17-22(23)27-24(30)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,13-17,32H,8,11-12,18-19H2,1-4H3,(H,28,31)/b16-14+
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n/an/a 71n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103590
PNG
(US10201527, Compound 84 | US8551988, 84)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccc(F)cc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H31FN4O2/c1-25(2,16-29(3)4)17-30-22-12-7-19(9-14-24(31)28-32)15-21(22)27-23(30)13-8-18-5-10-20(26)11-6-18/h5-7,9-12,14-15,32H,8,13,16-17H2,1-4H3,(H,28,31)/b14-9+
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n/an/a 54n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103592
PNG
(US10201527, Compound 86 | US8551988, 86)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2cccnc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H31N5O2/c1-24(2,16-28(3)4)17-29-21-10-7-18(9-12-23(30)27-31)14-20(21)26-22(29)11-8-19-6-5-13-25-15-19/h5-7,9-10,12-15,31H,8,11,16-17H2,1-4H3,(H,27,30)/b12-9+
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n/an/a 400n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM1662
PNG
(US10201527, Compound 78 | US8551988, 78)
Show SMILES OCCCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C23H27N3O3/c27-16-6-2-5-15-26-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(26)13-10-18-7-3-1-4-8-18/h1,3-4,7-9,11-12,14,17,27,29H,2,5-6,10,13,15-16H2,(H,25,28)/b14-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair