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USPatent US9428447

Compile data set for download or QSAR
Found 29 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 3


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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US Patent
n/an/a 33.8n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242915
PNG
(US9428447, DK-406)
Show SMILES CCC(CC)(c1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:29.30|
Show InChI InChI=1S/C31H46N2O5/c1-7-31(8-2,25-17-18-26(22(3)20-25)38-21-27(34)30(4,5)6)24-15-13-23(14-16-24)29(36)32-19-11-9-10-12-28(35)33-37/h13-18,20,27,34,37H,7-12,19,21H2,1-6H3,(H,32,36)(H,33,35)
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n/an/a 557n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 580n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242910
PNG
(US9428447, DK-362)
Show SMILES CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCCCCCC(=O)NO)c(C)c1 |w:11.11|
Show InChI InChI=1S/C33H50N2O5/c1-8-33(9-2,26-16-18-28(24(4)21-26)40-22-29(36)32(5,6)7)25-15-17-27(23(3)20-25)31(38)34-19-13-11-10-12-14-30(37)35-39/h15-18,20-21,29,36,39H,8-14,19,22H2,1-7H3,(H,34,38)(H,35,37)
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n/an/a 1.08E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242912
PNG
(US9428447, DK-367)
Show SMILES CCC(CC)(c1ccc(OCCCCCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:27.28|
Show InChI InChI=1S/C30H45NO5/c1-7-30(8-2,24-15-18-26(22(3)20-24)36-21-27(32)29(4,5)6)23-13-16-25(17-14-23)35-19-11-9-10-12-28(33)31-34/h13-18,20,27,32,34H,7-12,19,21H2,1-6H3,(H,31,33)
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n/an/a 1.57E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242914
PNG
(US9428447, DK-405)
Show SMILES CCC(CC)(c1ccc(OCCCCC(=O)NO)cc1)c1ccc(OCCC(C)(C)C)c(C)c1
Show InChI InChI=1S/C29H43NO4/c1-7-29(8-2,24-14-17-26(22(3)21-24)34-20-18-28(4,5)6)23-12-15-25(16-13-23)33-19-10-9-11-27(31)30-32/h12-17,21,32H,7-11,18-20H2,1-6H3,(H,30,31)
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n/an/a 1.97E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242906
PNG
(US9428447, DK-319)
Show SMILES CCC(CC)(c1ccc(OCCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:28.29|
Show InChI InChI=1S/C31H47NO5/c1-8-31(9-2,25-15-17-27(23(4)20-25)37-21-28(33)30(5,6)7)24-14-16-26(22(3)19-24)36-18-12-10-11-13-29(34)32-35/h14-17,19-20,28,33,35H,8-13,18,21H2,1-7H3,(H,32,34)
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n/an/a 2.65E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242913
PNG
(US9428447, DK-381)
Show SMILES CCC(CC)(c1ccc(OCCCCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:26.27|
Show InChI InChI=1S/C29H43NO5/c1-7-29(8-2,22-12-15-24(16-13-22)34-18-10-9-11-27(32)30-33)23-14-17-25(21(3)19-23)35-20-26(31)28(4,5)6/h12-17,19,26,31,33H,7-11,18,20H2,1-6H3,(H,30,32)
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n/an/a 3.13E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242909
PNG
(US9428447, DK-361)
Show SMILES CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCCCCC(=O)NO)c(C)c1 |w:11.11|
Show InChI InChI=1S/C32H48N2O5/c1-8-32(9-2,25-15-17-27(23(4)20-25)39-21-28(35)31(5,6)7)24-14-16-26(22(3)19-24)30(37)33-18-12-10-11-13-29(36)34-38/h14-17,19-20,28,35,38H,8-13,18,21H2,1-7H3,(H,33,37)(H,34,36)
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n/an/a 3.40E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242908
PNG
(US9428447, DK-347)
Show SMILES CCC(CC)(c1ccc(OCCCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:29.30|
Show InChI InChI=1S/C32H49NO5/c1-8-32(9-2,26-16-18-28(24(4)21-26)38-22-29(34)31(5,6)7)25-15-17-27(23(3)20-25)37-19-13-11-10-12-14-30(35)33-36/h15-18,20-21,29,34,36H,8-14,19,22H2,1-7H3,(H,33,35)
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n/an/a 3.94E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242916
PNG
(US9428447, JF-B06)
Show SMILES CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(=O)ON)c(C)c1
Show InChI InChI=1S/C23H30N2O6/c1-5-23(6-2,17-7-9-19(15(3)11-17)29-13-21(26)25-28)18-8-10-20(16(4)12-18)30-14-22(27)31-24/h7-12,28H,5-6,13-14,24H2,1-4H3,(H,25,26)
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n/an/a 4.70E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242907
PNG
(US9428447, DK-320)
Show SMILES CCC(CC)(c1ccc(OCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:27.28|
Show InChI InChI=1S/C30H45NO5/c1-8-30(9-2,24-14-16-26(22(4)19-24)36-20-27(32)29(5,6)7)23-13-15-25(21(3)18-23)35-17-11-10-12-28(33)31-34/h13-16,18-19,27,32,34H,8-12,17,20H2,1-7H3,(H,31,33)
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n/an/a 5.03E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242911
PNG
(US9428447, DK-366)
Show SMILES CCC(CC)(c1ccc(OCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:23.24|
Show InChI InChI=1S/C26H37NO5/c1-7-26(8-2,19-9-12-21(13-10-19)31-17-24(29)27-30)20-11-14-22(18(3)15-20)32-16-23(28)25(4,5)6/h9-15,23,28,30H,7-8,16-17H2,1-6H3,(H,27,29)
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n/an/a 7.40E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242901
PNG
(US9428447, JFD-15)
Show SMILES CCC(CC)(c1ccc(OCCCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C29H43NO5/c1-8-29(9-2,22-12-14-24(20(3)17-22)34-16-10-11-27(32)30-33)23-13-15-25(21(4)18-23)35-19-26(31)28(5,6)7/h12-15,17-18,26,31,33H,8-11,16,19H2,1-7H3,(H,30,32)/t26-/m0/s1
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n/an/a 9.83E+3n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242899
PNG
(US9428447, JF-B53)
Show SMILES CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1
Show InChI InChI=1S/C25H35NO5/c1-7-25(8-2,19-9-11-21(17(3)13-19)30-15-23(27)26-29)20-10-12-22(18(4)14-20)31-16-24(5,6)28/h9-14,28-29H,7-8,15-16H2,1-6H3,(H,26,27)
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n/an/a 1.70E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242898
PNG
(US9428447, JF-C71)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)NO)c(C)c1 |r|
Show InChI InChI=1S/C27H39NO5/c1-8-27(9-2,21-11-13-23(19(4)15-21)33-17-25(30)28-31)20-10-12-22(18(3)14-20)32-16-24(29)26(5,6)7/h10-15,24,29,31H,8-9,16-17H2,1-7H3,(H,28,30)/t24-/m0/s1
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n/an/a 2.20E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242903
PNG
(US9428447, DK-178)
Show SMILES CCC(CC)(c1cc(C)c(CCC(=O)NO)s1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:23.24|
Show InChI InChI=1S/C26H39NO4S/c1-8-26(9-2,23-15-18(4)21(32-23)12-13-24(29)27-30)19-10-11-20(17(3)14-19)31-16-22(28)25(5,6)7/h10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29)
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n/an/a 2.49E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242898
PNG
(US9428447, JF-C71)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)NO)c(C)c1 |r|
Show InChI InChI=1S/C27H39NO5/c1-8-27(9-2,21-11-13-23(19(4)15-21)33-17-25(30)28-31)20-10-12-22(18(3)14-20)32-16-24(29)26(5,6)7/h10-15,24,29,31H,8-9,16-17H2,1-7H3,(H,28,30)/t24-/m0/s1
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n/an/a 2.61E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242905
PNG
(US9428447, DK-305)
Show SMILES CCC(CC)(c1ccc(OCC(O)CCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:28.29,11.11|
Show InChI InChI=1S/C30H45NO6/c1-8-30(9-2,23-11-14-26(21(4)17-23)37-19-27(33)29(5,6)7)22-10-13-25(20(3)16-22)36-18-24(32)12-15-28(34)31-35/h10-11,13-14,16-17,24,27,32-33,35H,8-9,12,15,18-19H2,1-7H3,(H,31,34)
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n/an/a 2.92E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242900
PNG
(US9428447, JF-B54)
Show SMILES CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OCC(=O)NO)c(C)c1
Show InChI InChI=1S/C27H39NO5/c1-7-26(30,8-2)18-33-24-14-12-22(16-20(24)6)27(9-3,10-4)21-11-13-23(19(5)15-21)32-17-25(29)28-31/h11-16,30-31H,7-10,17-18H2,1-6H3,(H,28,29)
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n/an/a 2.99E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242904
PNG
(US9428447, DK-201)
Show SMILES CCC(CC)(c1cc(C)c(CCC(O)C(C)(C)C)s1)c1ccc(OCC(=O)NO)c(C)c1 |w:12.12|
Show InChI InChI=1S/C26H39NO4S/c1-8-26(9-2,19-10-11-20(17(3)14-19)31-16-24(29)27-30)23-15-18(4)21(32-23)12-13-22(28)25(5,6)7/h10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29)
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n/an/a 3.05E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242900
PNG
(US9428447, JF-B54)
Show SMILES CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OCC(=O)NO)c(C)c1
Show InChI InChI=1S/C27H39NO5/c1-7-26(30,8-2)18-33-24-14-12-22(16-20(24)6)27(9-3,10-4)21-11-13-23(19(5)15-21)32-17-25(29)28-31/h11-16,30-31H,7-10,17-18H2,1-6H3,(H,28,29)
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n/an/a 3.15E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242899
PNG
(US9428447, JF-B53)
Show SMILES CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1
Show InChI InChI=1S/C25H35NO5/c1-7-25(8-2,19-9-11-21(17(3)13-19)30-15-23(27)26-29)20-10-12-22(18(4)14-20)31-16-24(5,6)28/h9-14,28-29H,7-8,15-16H2,1-6H3,(H,26,27)
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n/an/a 3.33E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242917
PNG
(US9428447, JF-B21)
Show SMILES CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OCC(=O)NO)c(C)c1
Show InChI InChI=1S/C25H35NO6/c1-5-25(6-2,21-8-10-23(18(4)12-21)32-16-24(29)26-30)20-7-9-22(17(3)11-20)31-15-19(13-27)14-28/h7-12,19,27-28,30H,5-6,13-16H2,1-4H3,(H,26,29)
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n/an/a 3.61E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242902
PNG
(US9428447, JFD-50)
Show SMILES CCC(CC)(c1ccc(CCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,22-12-10-21(19(3)16-22)11-15-26(31)29-32)23-13-14-24(20(4)17-23)33-18-25(30)27(5,6)7/h10,12-14,16-17,25,30,32H,8-9,11,15,18H2,1-7H3,(H,29,31)/t25-/m0/s1
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n/an/a 3.61E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242917
PNG
(US9428447, JF-B21)
Show SMILES CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OCC(=O)NO)c(C)c1
Show InChI InChI=1S/C25H35NO6/c1-5-25(6-2,21-8-10-23(18(4)12-21)32-16-24(29)26-30)20-7-9-22(17(3)11-20)31-15-19(13-27)14-28/h7-12,19,27-28,30H,5-6,13-16H2,1-4H3,(H,26,29)
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n/an/a 3.79E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242902
PNG
(US9428447, JFD-50)
Show SMILES CCC(CC)(c1ccc(CCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,22-12-10-21(19(3)16-22)11-15-26(31)29-32)23-13-14-24(20(4)17-23)33-18-25(30)27(5,6)7/h10,12-14,16-17,25,30,32H,8-9,11,15,18H2,1-7H3,(H,29,31)/t25-/m0/s1
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n/an/a 4.51E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM242901
PNG
(US9428447, JFD-15)
Show SMILES CCC(CC)(c1ccc(OCCCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C29H43NO5/c1-8-29(9-2,22-12-14-24(20(3)17-22)34-16-10-11-27(32)30-33)23-13-15-25(21(4)18-23)35-19-26(31)28(5,6)7/h12-15,17-18,26,31,33H,8-11,16,19H2,1-7H3,(H,30,32)/t26-/m0/s1
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n/an/a 4.71E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM242903
PNG
(US9428447, DK-178)
Show SMILES CCC(CC)(c1cc(C)c(CCC(=O)NO)s1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |w:23.24|
Show InChI InChI=1S/C26H39NO4S/c1-8-26(9-2,23-15-18(4)21(32-23)12-13-24(29)27-30)19-10-11-20(17(3)14-19)31-16-22(28)25(5,6)7/h10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29)
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n/an/a 4.73E+4n/an/an/an/a8.137



The Royal Institution for the Advancement of Learning/McGill University

US Patent


Assay Description
Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...

US Patent US9428447 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D9H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%