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Patent code US9505736

Compile Data Set for Download or QSAR
Found 16 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 (HDAC4)


(Homo sapiens (Human))
BDBM50160879
PNG
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1
Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1
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US Patent
n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257503
PNG
(US9505736, (1S,2S,3S)-1-Fluoro-N-hydroxy-2-(4-(5- ...)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[C@@]1(F)C(=O)NO
Show InChI InChI=1S/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257508
PNG
(US9505736, (1S,2S,3S)-2-(4-(2-Cyclopropyloxazol- 5...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O3/c23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM50161831
PNG
(CHEMBL3793932 | US9505736, (1S,2S,3S)-1-Fluoro-N-h...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1nccc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4N3O2/c22-20(19(29)28-30)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-26-11-10-15(27-18)21(23,24)25/h1-11,16-17,30H,(H,28,29)/t16-,17-,20+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM50160874
PNG
(CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1
Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257509
PNG
(US9505736, (1S,2R,3S)-1-Fluoro-2-(2-(4- fluorophen...)
Show SMILES ONC(=O)[C@@]1(F)[C@@H]([C@H]1c1ccccc1)c1cnc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H14F2N2O2S/c20-13-8-6-12(7-9-13)17-22-10-14(26-17)16-15(11-4-2-1-3-5-11)19(16,21)18(24)23-25/h1-10,15-16,25H,(H,23,24)/t15-,16-,19+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257501
PNG
(US9505736, (1S,2S,3S)-2-(4-Bromophenyl)-1- fluoro-...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C16H13BrFNO2/c17-12-8-6-11(7-9-12)14-13(10-4-2-1-3-5-10)16(14,18)15(20)19-21/h1-9,13-14,21H,(H,19,20)/t13-,14-,16+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM50155803
PNG
(CHEMBL3793455 | US9505736, (1S,2S,3S)-1-Chloro-N-h...)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[C@@]1(Cl)C(=O)NO
Show InChI InChI=1S/C21H18ClN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257511
PNG
(US9505736, (1R,2R,3R)-1-Fluoro-2-(4-(5- fluoropyri...)
Show SMILES ONC(=O)[C@@]1(F)[C@H]([C@@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1
Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257505
PNG
(US9505736, (1R,2R,3R)-1-Fluoro-N-hydroxy-2-(4-(5- ...)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@H](c2ccccc2)[C@]1(F)C(=O)NO
Show InChI InChI=1S/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257504
PNG
(US9505736, (1R,2R,3R)-1-Chloro-N-hydroxy-2-(4-(5- ...)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@H](c2ccccc2)[C@]1(Cl)C(=O)NO
Show InChI InChI=1S/C21H18ClN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257507
PNG
(US9505736, (1R,2S,3S)-2-(4-(2-Cyclopropyloxazol- 5...)
Show SMILES ONC(=O)[C@@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O3/c23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22-/m1/s1
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n/an/a 4.65E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257502
PNG
(US9505736, (1R,2S,3S)-2-(8-Chloro-2,3- dihydrobenz...)
Show SMILES ONC(=O)[C@@]1(F)[C@@H]([C@H]1c1cc(Cl)c2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C18H15ClFNO4/c19-12-8-11(9-13-16(12)25-7-6-24-13)15-14(10-4-2-1-3-5-10)18(15,20)17(22)21-23/h1-5,8-9,14-15,23H,6-7H2,(H,21,22)/t14-,15-,18-/m1/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257510
PNG
(US9505736, (1R,2R,3R)-1-Fluoro-N-hydroxy-2-phenyl-...)
Show SMILES ONC(=O)[C@@]1(F)[C@H]([C@@H]1c1ccc(cc1)-c1nccc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H15F4N3O2/c22-20(19(29)28-30)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-26-11-10-15(27-18)21(23,24)25/h1-11,16-17,30H,(H,28,29)/t16-,17-,20+/m0/s1
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n/an/a 6.87E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257506
PNG
(US9505736, (1R,2R,3R)-2-(4-(5- (Difluoromethoxy)py...)
Show SMILES ONC(=O)[C@@]1(F)[C@H]([C@@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1
Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257512
PNG
(US9505736, (1R,2S,3S)-2-(2-Cyclopropylpyridin-4- y...)
Show SMILES ONC(=O)[C@@]1(F)[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccccc1
Show InChI InChI=1S/C18H17FN2O2/c19-18(17(22)21-23)15(12-4-2-1-3-5-12)16(18)13-8-9-20-14(10-13)11-6-7-11/h1-5,8-11,15-16,23H,6-7H2,(H,21,22)/t15-,16-,18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


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