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Patent code US9765054

Compile Data Set for Download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340962
PNG
(US9765054, Compound 100b)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1cccc(F)c1
Show InChI InChI=1S/C18H17FN2O2/c19-13-3-1-2-11(8-13)15-16(17(15)18(22)21-23)12-6-7-20-14(9-12)10-4-5-10/h1-3,6-10,15-17,23H,4-5H2,(H,21,22)/t15-,16-,17-/m1/s1
PDB
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446474
PNG
(CHEMBL3109980 | US9765054, Compound 25e)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cc(Cl)c2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C18H16ClNO4/c19-12-8-11(9-13-17(12)24-7-6-23-13)15-14(16(15)18(21)20-22)10-4-2-1-3-5-10/h1-5,8-9,14-16,22H,6-7H2,(H,20,21)/t14-,15-,16-/m1/s1
PDB
MMDB

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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340863
PNG
(US9765054, Compound 39A)
Show SMILES CC(C)c1nc2ccc(cc2o1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H20N2O3/c1-11(2)20-21-14-9-8-13(10-15(14)25-20)17-16(18(17)19(23)22-24)12-6-4-3-5-7-12/h3-11,16-18,24H,1-2H3,(H,22,23)/t16-,17-,18-/m1/s1
PDB
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446472
PNG
(CHEMBL3110021 | US9765054, Compound 41B)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446476
PNG
(CHEMBL3109993 | US9765054, Compound 28B)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446473
PNG
(CHEMBL3109983 | US9765054, Compound 33)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2C(=O)N(CC(F)(F)F)Cc2c1)c1ccccc1
Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)10-25-9-13-8-12(6-7-14(13)19(25)27)16-15(17(16)18(26)24-28)11-4-2-1-3-5-11/h1-8,15-17,28H,9-10H2,(H,24,26)/t15-,16-,17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340917
PNG
(US9765054, Compound 25f)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1F)c1cc(Cl)c2OCCOc2c1
Show InChI InChI=1S/C18H15ClFNO4/c19-11-7-9(8-13-17(11)25-6-5-24-13)14-15(16(14)18(22)21-23)10-3-1-2-4-12(10)20/h1-4,7-8,14-16,23H,5-6H2,(H,21,22)/t14-,15-,16+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446471
PNG
(CHEMBL3109984 | US9765054, Compound 75a)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)/t17-,18-,19-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340867
PNG
(US9765054, Compound 25D | US9765054, Compound 28d)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-13-5-3-11(4-6-13)15-16(17(15)18(22)21-23)12-7-8-20-14(9-12)10-1-2-10/h3-10,15-17,23H,1-2H2,(H,21,22)/t15-,16-,17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446470
PNG
(CHEMBL3109985 | US9765054, Compound 46)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c25-21(24-26)20-18(14-4-2-1-3-5-14)19(20)15-8-6-13(7-9-15)17-12-23-22(27-17)16-10-11-16/h1-9,12,16,18-20,26H,10-11H2,(H,24,25)/t18-,19-,20-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340963
PNG
(US9765054, Compound 102)
Show SMILES Cc1cnc(s1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H18N2O2S/c1-12-11-21-20(25-12)15-9-7-14(8-10-15)17-16(18(17)19(23)22-24)13-5-3-2-4-6-13/h2-11,16-18,24H,1H3,(H,22,23)/t16-,17-,18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340873
PNG
(US9765054, Compound 28c)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1F)c1ccnc(c1)C1CC1
Show InChI InChI=1S/C18H17FN2O2/c19-13-4-2-1-3-12(13)16-15(17(16)18(22)21-23)11-7-8-20-14(9-11)10-5-6-10/h1-4,7-10,15-17,23H,5-6H2,(H,21,22)/t15-,16-,17+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340861
PNG
(US9765054, Compound 41A)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)-c1cnco1)c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(12-5-2-1-3-6-12)17(18)14-8-4-7-13(9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340885
PNG
(US9765054, Compound 58)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncco1)c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-18(21-23)17-15(12-4-2-1-3-5-12)16(17)13-6-8-14(9-7-13)19-20-10-11-24-19/h1-11,15-17,23H,(H,21,22)/t15-,16-,17-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340949
PNG
(US9765054, Compound 22)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(NS(=O)(=O)C2CC2)cc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O4S/c22-19(20-23)18-16(12-4-2-1-3-5-12)17(18)13-6-8-14(9-7-13)21-26(24,25)15-10-11-15/h1-9,15-18,21,23H,10-11H2,(H,20,22)/t16-,17-,18-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340954
PNG
(US9765054, Compound 75b)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1F)C(=O)NO
Show InChI InChI=1S/C20H17FN2O3/c1-11-22-10-16(26-11)12-6-8-13(9-7-12)17-18(19(17)20(24)23-25)14-4-2-3-5-15(14)21/h2-10,17-19,25H,1H3,(H,23,24)/t17-,18-,19+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340828
PNG
(US9765054, Compound 50h)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncccn1)c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-20(23-25)18-16(13-5-2-1-3-6-13)17(18)14-7-9-15(10-8-14)19-21-11-4-12-22-19/h1-12,16-18,25H,(H,23,24)/t16-,17-,18-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446479
PNG
(CHEMBL3110015 | US9765054, Compound 50A)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1
Show InChI InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340951
PNG
(US9765054, Compound 16b)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(Br)c1)c1ccccc1
Show InChI InChI=1S/C16H14BrNO2/c17-12-8-4-7-11(9-12)14-13(15(14)16(19)18-20)10-5-2-1-3-6-10/h1-9,13-15,20H,(H,18,19)/t13-,14-,15-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340879
PNG
(US9765054, Compound 50f)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cccnn1)c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-20(23-25)19-17(14-5-2-1-3-6-14)18(19)15-10-8-13(9-11-15)16-7-4-12-21-22-16/h1-12,17-19,25H,(H,23,24)/t17-,18-,19-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340898
PNG
(US9765054, Compound 65)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-n1cccn1)c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-19(21-24)18-16(13-5-2-1-3-6-13)17(18)14-7-9-15(10-8-14)22-12-4-11-20-22/h1-12,16-18,24H,(H,21,23)/t16-,17-,18-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340957
PNG
(US9765054, Compound 79)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H19N3O2/c1-13-11-12-23(21-13)16-9-7-15(8-10-16)18-17(19(18)20(24)22-25)14-5-3-2-4-6-14/h2-12,17-19,25H,1H3,(H,22,24)/t17-,18-,19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50155843
PNG
(CHEMBL3793034 | US9765054, Compound 50K)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H19N3O2/c1-13-11-22-20(23-12-13)16-9-7-15(8-10-16)18-17(19(18)21(25)24-26)14-5-3-2-4-6-14/h2-12,17-19,26H,1H3,(H,24,25)/t17-,18-,19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340901
PNG
(US9765054, Compound 56a)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H29N3O2/c1-16(2)25-12-14-26(15-13-25)19-10-8-18(9-11-19)21-20(22(21)23(27)24-28)17-6-4-3-5-7-17/h3-11,16,20-22,28H,12-15H2,1-2H3,(H,24,27)/t20-,21-,22-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340916
PNG
(US9765054, Compound 50l)
Show SMILES Cc1cnc([nH]1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
PDB
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n/an/a 100n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446478
PNG
(CHEMBL3110016 | US9765054, Compound 50B)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)-c1ncc(F)cn1)c1ccccc1
Show InChI InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-4-7-13(9-14)17-16(18(17)20(25)24-26)12-5-2-1-3-6-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340824
PNG
(US9765054, Compound 50i)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cncnc1)c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-20(23-25)19-17(14-4-2-1-3-5-14)18(19)15-8-6-13(7-9-15)16-10-21-12-22-11-16/h1-12,17-19,25H,(H,23,24)/t17-,18-,19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340880
PNG
(US9765054, Compound 50g)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ccnnc1)c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-20(23-25)19-17(14-4-2-1-3-5-14)18(19)15-8-6-13(7-9-15)16-10-11-21-22-12-16/h1-12,17-19,25H,(H,23,24)/t17-,18-,19-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340867
PNG
(US9765054, Compound 25D | US9765054, Compound 28d)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-13-5-3-11(4-6-13)15-16(17(15)18(22)21-23)12-7-8-20-14(9-12)10-1-2-10/h3-10,15-17,23H,1-2H2,(H,21,22)/t15-,16-,17-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340958
PNG
(US9765054, Compound 83)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cn1)[C@H]1[C@@H]([C@@H]1c1ccccc1F)C(=O)NO
Show InChI InChI=1S/C22H27FN4O2/c1-14(2)26-9-11-27(12-10-26)18-8-7-15(13-24-18)19-20(21(19)22(28)25-29)16-5-3-4-6-17(16)23/h3-8,13-14,19-21,29H,9-12H2,1-2H3,(H,25,28)/t19-,20-,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340869
PNG
(US9765054, Compound 28E)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2OC(F)(F)Oc2c1)c1ccccc1
Show InChI InChI=1S/C17H13F2NO4/c18-17(19)23-11-7-6-10(8-12(11)24-17)14-13(15(14)16(21)20-22)9-4-2-1-3-5-9/h1-8,13-15,22H,(H,20,21)/t13-,14-,15-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50160873
PNG
(CHEMBL3794544 | US9765054, Compound 50j)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(Cl)cn1)c1ccccc1
Show InChI InChI=1S/C20H16ClN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340884
PNG
(US9765054, Compound 56i)
Show SMILES CN1CCN(CC1)c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O2/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)19-18(20(19)21(25)22-26)15-5-3-2-4-6-15/h2-10,18-20,26H,11-14H2,1H3,(H,22,25)/t18-,19-,20-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340952
PNG
(US9765054, Compound 18b)
Show SMILES Cc1cccc(c1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H17NO2/c1-11-6-5-9-13(10-11)15-14(16(15)17(19)18-20)12-7-3-2-4-8-12/h2-10,14-16,20H,1H3,(H,18,19)/t14-,15-,16-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340902
PNG
(US9765054, Compound 56c)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)N1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C20H20F2N2O2/c21-20(22)10-11-24(12-20)15-8-6-14(7-9-15)17-16(18(17)19(25)23-26)13-4-2-1-3-5-13/h1-9,16-18,26H,10-12H2,(H,23,25)/t16-,17-,18-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340903
PNG
(US9765054, Compound 56e)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)N1CC2(COC2)C1)c1ccccc1
Show InChI InChI=1S/C21H22N2O3/c24-20(22-25)19-17(14-4-2-1-3-5-14)18(19)15-6-8-16(9-7-15)23-10-21(11-23)12-26-13-21/h1-9,17-19,25H,10-13H2,(H,22,24)/t17-,18-,19-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340950
PNG
(US9765054, Compound 18c)
Show SMILES Cc1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H17NO2/c1-11-7-9-13(10-8-11)15-14(16(15)17(19)18-20)12-5-3-2-4-6-12/h2-10,14-16,20H,1H3,(H,18,19)/t14-,15-,16-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340955
PNG
(US9765054, Compound 77)
Show SMILES Cc1cnc(nc1)-c1cccc(c1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H19N3O2/c1-13-11-22-20(23-12-13)16-9-5-8-15(10-16)18-17(19(18)21(25)24-26)14-6-3-2-4-7-14/h2-12,17-19,26H,1H3,(H,24,25)/t17-,18-,19-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340964
PNG
(US9765054, Compound 106)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1F)c1ccc(NCC(F)(F)F)nc1
Show InChI InChI=1S/C17H15F4N3O2/c18-11-4-2-1-3-10(11)14-13(15(14)16(25)24-26)9-5-6-12(22-7-9)23-8-17(19,20)21/h1-7,13-15,26H,8H2,(H,22,23)(H,24,25)/t13-,14-,15+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340912
PNG
(US9765054, Compound 56h)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)N1CCCn2nccc12)c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c27-22(24-28)21-19(15-6-2-1-3-7-15)20(21)16-8-4-9-17(14-16)25-12-5-13-26-18(25)10-11-23-26/h1-4,6-11,14,19-21,28H,5,12-13H2,(H,24,27)/t19-,20-,21-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340877
PNG
(US9765054, Compound 50e)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H16F3N3O2/c22-21(23,24)15-10-25-19(26-11-15)14-8-6-13(7-9-14)17-16(18(17)20(28)27-29)12-4-2-1-3-5-12/h1-11,16-18,29H,(H,27,28)/t16-,17-,18-/m1/s1
PDB
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n/an/a 180n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340959
PNG
(US9765054, Compound 92b)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)c1cnn(c1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O2/c20-19(21,22)13-6-7-14(23-9-13)26-10-12(8-24-26)16-15(17(16)18(27)25-28)11-4-2-1-3-5-11/h1-10,15-17,28H,(H,25,27)/t15-,16-,17-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340948
PNG
(US9765054, Compound 42)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-n1ccnc1)c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-19(21-24)18-16(13-4-2-1-3-5-13)17(18)14-6-8-15(9-7-14)22-11-10-20-12-22/h1-12,16-18,24H,(H,21,23)/t16-,17-,18-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340956
PNG
(US9765054, Compound 88)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1F)c1cc(nc(c1)C1CC1)C1CC1
Show InChI InChI=1S/C21H21FN2O2/c22-15-4-2-1-3-14(15)19-18(20(19)21(25)24-26)13-9-16(11-5-6-11)23-17(10-13)12-7-8-12/h1-4,9-12,18-20,26H,5-8H2,(H,24,25)/t18-,19-,20+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50160875
PNG
(CHEMBL3794334 | US9765054, Compound 50d)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1nccc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H16F3N3O2/c22-21(23,24)15-10-11-25-19(26-15)14-8-6-13(7-9-14)17-16(18(17)20(28)27-29)12-4-2-1-3-5-12/h1-11,16-18,29H,(H,27,28)/t16-,17-,18-/m1/s1
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US Patent
n/an/a 210n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340856
PNG
(US9765054, Compound 50C)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(cn1)C1CC1)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c27-23(26-28)21-19(15-4-2-1-3-5-15)20(21)16-8-10-17(11-9-16)22-24-12-18(13-25-22)14-6-7-14/h1-5,8-14,19-21,28H,6-7H2,(H,26,27)/t19-,20-,21-/m1/s1
PDB
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n/an/a 220n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340961
PNG
(US9765054, Compound 109)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccn2cc(nc2c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)12-9-24-7-6-11(8-13(24)22-12)15-14(16(15)17(25)23-26)10-4-2-1-3-5-10/h1-9,14-16,26H,(H,23,25)/t14-,15-,16-/m1/s1
PDB
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n/an/a 230n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340864
PNG
(US9765054, Compound 68)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cncc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N2O2/c17-16(18,19)11-6-10(7-20-8-11)13-12(14(13)15(22)21-23)9-4-2-1-3-5-9/h1-8,12-14,23H,(H,21,22)/t12-,13-,14-/m1/s1
PDB
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n/an/a 230n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340907
PNG
(US9765054, Compound 54c)
Show SMILES CN1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C25H24N2O3/c1-27-13-14-30-21-15-19(11-12-20(21)27)16-7-9-18(10-8-16)23-22(24(23)25(28)26-29)17-5-3-2-4-6-17/h2-12,15,22-24,29H,13-14H2,1H3,(H,26,28)/t22-,23-,24-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340910
PNG
(US9765054, Compound 63)
Show SMILES C[C@]1([C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H18FN3O2/c1-21(20(26)25-27)17(13-5-3-2-4-6-13)18(21)14-7-9-15(10-8-14)19-23-11-16(22)12-24-19/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340918
PNG
(US9765054, Compound 48)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c28-24(27-29)23-21(17-7-3-1-4-8-17)22(23)18-13-11-16(12-14-18)20-15-26-25(30-20)19-9-5-2-6-10-19/h1-15,21-23,29H,(H,27,28)/t21-,22-,23-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340893
PNG
(US9765054, Compound 60)
Show SMILES Cn1ccnc1-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H19N3O2/c1-23-12-11-21-19(23)15-9-7-14(8-10-15)17-16(18(17)20(24)22-25)13-5-3-2-4-6-13/h2-12,16-18,25H,1H3,(H,22,24)/t16-,17-,18-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340871
PNG
(US9765054, Compound 28G)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N2O2/c17-16(18,19)11-8-10(6-7-20-11)13-12(14(13)15(22)21-23)9-4-2-1-3-5-9/h1-8,12-14,23H,(H,21,22)/t12-,13-,14-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340849
PNG
(US9765054, Compound 11b)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C16H14FNO2/c17-12-9-5-4-8-11(12)14-13(15(14)16(19)18-20)10-6-2-1-3-7-10/h1-9,13-15,20H,(H,18,19)/t13-,14-,15-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340900
PNG
(US9765054, Compound 56d)
Show SMILES CC1(C)CN(C1)c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H24N2O2/c1-21(2)12-23(13-21)16-10-8-15(9-11-16)18-17(19(18)20(24)22-25)14-6-4-3-5-7-14/h3-11,17-19,25H,12-13H2,1-2H3,(H,22,24)/t17-,18-,19-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340865
PNG
(US9765054, Compound 28f)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(nc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H13F3N2O2/c17-16(18,19)11-7-6-10(8-20-11)13-12(14(13)15(22)21-23)9-4-2-1-3-5-9/h1-8,12-14,23H,(H,21,22)/t12-,13-,14-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340920
PNG
(US9765054, Compound 2)
Show SMILES ONC(=O)C1C(C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NO2/c18-16(17-19)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-15,19H,(H,17,18)
PDB
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n/an/a 340n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340906
PNG
(US9765054, Compound 71)
Show SMILES NC(=O)[C@@]1(O)[C@H]([C@@H]1c1ccc(cc1)C1=CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H28N2O2/c29-27(31)28(32)25(23-9-5-2-6-10-23)26(28)24-13-11-21(12-14-24)22-15-17-30(18-16-22)19-20-7-3-1-4-8-20/h1-15,25-26,32H,16-19H2,(H2,29,31)/t25-,26-,28+/m0/s1
PDB
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n/an/a 350n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340931
PNG
(US9765054, Compound 16c)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C16H14BrNO2/c17-12-8-6-11(7-9-12)14-13(15(14)16(19)18-20)10-4-2-1-3-5-10/h1-9,13-15,20H,(H,18,19)/t13-,14-,15-/m1/s1
PDB
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n/an/a 370n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340914
PNG
(US9765054, Compound 56g)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)N1CCC(CC1)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c29-25(26-30)24-22(18-7-2-1-3-8-18)23(24)19-9-6-10-21(17-19)28-15-11-20(12-16-28)27-13-4-5-14-27/h1-3,6-10,17,20,22-24,30H,4-5,11-16H2,(H,26,29)/t22-,23-,24-/m1/s1
PDB
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n/an/a 390n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340908
PNG
(US9765054, Compound 52)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ccc2CN(Cc2c1)C1CC1)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c30-27(28-31)26-24(18-4-2-1-3-5-18)25(26)19-8-6-17(7-9-19)20-10-11-21-15-29(23-12-13-23)16-22(21)14-20/h1-11,14,23-26,31H,12-13,15-16H2,(H,28,30)/t24-,25-,26-/m1/s1
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n/an/a 480n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446477
PNG
(CHEMBL3110023 | US9765054, Compound 25b)
Show SMILES Cn1cc(cn1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H15N3O2/c1-17-8-10(7-15-17)12-11(13(12)14(18)16-19)9-5-3-2-4-6-9/h2-8,11-13,19H,1H3,(H,16,18)/t11-,12-,13-/m1/s1
PDB
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n/an/a 540n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340960
PNG
(US9765054, Compound 115)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)c1cnc2ccccn12
Show InChI InChI=1S/C17H15N3O2/c21-17(19-22)16-14(11-6-2-1-3-7-11)15(16)12-10-18-13-8-4-5-9-20(12)13/h1-10,14-16,22H,(H,19,21)/t14-,15-,16-/m1/s1
PDB
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n/an/a 550n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340825
PNG
(US9765054, Compound 16a)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccccc1Br)c1ccccc1
Show InChI InChI=1S/C16H14BrNO2/c17-12-9-5-4-8-11(12)14-13(15(14)16(19)18-20)10-6-2-1-3-7-10/h1-9,13-15,20H,(H,18,19)/t13-,14-,15-/m1/s1
PDB
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n/an/a 620n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340913
PNG
(US9765054, Compound 56f)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)N1CCN2CCCC2C1)c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c27-23(24-28)22-20(16-6-2-1-3-7-16)21(22)17-8-4-9-18(14-17)26-13-12-25-11-5-10-19(25)15-26/h1-4,6-9,14,19-22,28H,5,10-13,15H2,(H,24,27)/t19?,20-,21-,22-/m1/s1
PDB
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n/an/a 630n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340829
PNG
(US9765054, Compound 13)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C16H14FNO2/c17-12-9-5-4-8-11(12)14-13(15(14)16(19)18-20)10-6-2-1-3-7-10/h1-9,13-15,20H,(H,18,19)/t13-,14-,15+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 940n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340904
PNG
(US9765054, Compound 54a)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cccc(OCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C29H25NO3/c31-29(30-32)28-26(22-10-5-2-6-11-22)27(28)23-16-14-21(15-17-23)24-12-7-13-25(18-24)33-19-20-8-3-1-4-9-20/h1-18,26-28,32H,19H2,(H,30,31)/t26-,27-,28-/m1/s1
PDB
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n/an/a 990n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340859
PNG
(US9765054, Compound 28A)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnnc1)c1ccccc1
Show InChI InChI=1S/C14H13N3O2/c18-14(17-19)13-11(9-4-2-1-3-5-9)12(13)10-6-7-15-16-8-10/h1-8,11-13,19H,(H,17,18)/t11-,12-,13-/m1/s1
PDB
MMDB

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n/an/a 1.09E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340911
PNG
(US9765054, Compound 56b)
Show SMILES CC(C)N1CCN(CC1)c1cccc(c1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H29N3O2/c1-16(2)25-11-13-26(14-12-25)19-10-6-9-18(15-19)21-20(22(21)23(27)24-28)17-7-4-3-5-8-17/h3-10,15-16,20-22,28H,11-14H2,1-2H3,(H,24,27)/t20-,21-,22-/m1/s1
PDB
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n/an/a 1.43E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340827
PNG
(US9765054, Compound 18a)
Show SMILES Cc1ccccc1[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H17NO2/c1-11-7-5-6-10-13(11)15-14(16(15)17(19)18-20)12-8-3-2-4-9-12/h2-10,14-16,20H,1H3,(H,18,19)/t14-,15-,16-/m1/s1
PDB
MMDB

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n/an/a 1.72E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340850
PNG
(US9765054, Compound 25C)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cncnc1)c1ccccc1
Show InChI InChI=1S/C14H13N3O2/c18-14(17-19)13-11(9-4-2-1-3-5-9)12(13)10-6-15-8-16-7-10/h1-8,11-13,19H,(H,17,18)/t11-,12-,13-/m1/s1
PDB
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n/an/a 1.81E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340909
PNG
(US9765054, Compound 54b)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ccc(cc1)-n1c2ccccc2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C34H26N2O2/c37-34(35-38)33-31(24-8-2-1-3-9-24)32(33)25-16-14-22(15-17-25)23-18-20-26(21-19-23)36-29-12-6-4-10-27(29)28-11-5-7-13-30(28)36/h1-21,31-33,38H,(H,35,37)/t31-,32-,33-/m1/s1
PDB
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n/an/a 5.66E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340921
PNG
(US9765054, Compound 5)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C16H21NO2/c18-16(17-19)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1,3-4,7-8,12-15,19H,2,5-6,9-10H2,(H,17,18)/t13-,14-,15+/m1/s1
PDB
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n/an/a 6.22E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340851
PNG
(US9765054, Compound 25A)
Show SMILES ONC(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)C1CCCC1
Show InChI InChI=1S/C15H19NO2/c17-15(16-18)14-12(10-6-2-1-3-7-10)13(14)11-8-4-5-9-11/h1-3,6-7,11-14,18H,4-5,8-9H2,(H,16,17)/t12-,13-,14-/m1/s1
PDB
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n/an/a 8.96E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340848
PNG
(US9765054, Compound 11a)
Show SMILES CC(C)Oc1ccccc1[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H21NO3/c1-12(2)23-15-11-7-6-10-14(15)17-16(18(17)19(21)20-22)13-8-4-3-5-9-13/h3-12,16-18,22H,1-2H3,(H,20,21)/t16-,17-,18-/m1/s1
PDB
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n/an/a 2.06E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US9765054 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%