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Found 27 hits from Academia Sinica; National Taiwan University   
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


(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 19.4n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 20.9n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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US Patent
n/an/a 29.5n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432563
PNG
(CHEMBL2347011 | US9115116, 8b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
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US Patent
n/an/a 34n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM175098
PNG
(US9115116, 6b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C35H49NO5Si/c1-9-25-11-13-26(14-12-25)22-36-34(38)40-31-19-23(2)18-27-15-10-24(3)30(33(27)31)17-16-28-20-29(21-32(37)39-28)41-42(7,8)35(4,5)6/h1,10-15,18,23-24,28-31,33H,16-17,19-22H2,2-8H3,(H,36,38)/t23-,24-,28+,29+,30-,31-,33-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432564
PNG
(CHEMBL2347010 | US9115116, 8a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C41H61N5O7Si/c1-27-22-30-14-13-28(2)34(20-19-32-24-33(25-38(48)51-32)53-54(6,7)41(3,4)5)39(30)36(23-27)52-40(49)42-31-17-15-29(16-18-31)35-26-46(45-43-35)21-11-9-8-10-12-37(47)44-50/h13-18,22,26-28,32-34,36,39,50H,8-12,19-21,23-25H2,1-7H3,(H,42,49)(H,44,47)/t27-,28-,32+,33+,34-,36-,39-/m0/s1
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US Patent
n/an/a 36.5n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM175097
PNG
(US9115116, 6a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C34H47NO5Si/c1-9-24-11-14-26(15-12-24)35-33(37)39-30-19-22(2)18-25-13-10-23(3)29(32(25)30)17-16-27-20-28(21-31(36)38-27)40-41(7,8)34(4,5)6/h1,10-15,18,22-23,27-30,32H,16-17,19-21H2,2-8H3,(H,35,37)/t22-,23-,27+,28+,29-,30-,32-/m0/s1
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n/an/a 36.5n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM175098
PNG
(US9115116, 6b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C35H49NO5Si/c1-9-25-11-13-26(14-12-25)22-36-34(38)40-31-19-23(2)18-27-15-10-24(3)30(33(27)31)17-16-28-20-29(21-32(37)39-28)41-42(7,8)35(4,5)6/h1,10-15,18,23-24,28-31,33H,16-17,19-22H2,2-8H3,(H,36,38)/t23-,24-,28+,29+,30-,31-,33-/m0/s1
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n/an/a 53.8n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432563
PNG
(CHEMBL2347011 | US9115116, 8b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
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n/an/a 53.8n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432562
PNG
(CHEMBL2347005 | US9115116, 12a)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C33H56N2O7Si/c1-22-18-24-14-13-23(2)27(16-15-25-20-26(21-30(37)40-25)42-43(6,7)33(3,4)5)31(24)28(19-22)41-32(38)34-17-11-9-8-10-12-29(36)35-39/h13-14,18,22-23,25-28,31,39H,8-12,15-17,19-21H2,1-7H3,(H,34,38)(H,35,36)/t22-,23-,25+,26+,27-,28-,31-/m0/s1
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n/an/a 54.1n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(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 101n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50432562
PNG
(CHEMBL2347005 | US9115116, 12a)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C33H56N2O7Si/c1-22-18-24-14-13-23(2)27(16-15-25-20-26(21-30(37)40-25)42-43(6,7)33(3,4)5)31(24)28(19-22)41-32(38)34-17-11-9-8-10-12-29(36)35-39/h13-14,18,22-23,25-28,31,39H,8-12,15-17,19-21H2,1-7H3,(H,34,38)(H,35,36)/t22-,23-,25+,26+,27-,28-,31-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM175098
PNG
(US9115116, 6b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C35H49NO5Si/c1-9-25-11-13-26(14-12-25)22-36-34(38)40-31-19-23(2)18-27-15-10-24(3)30(33(27)31)17-16-28-20-29(21-32(37)39-28)41-42(7,8)35(4,5)6/h1,10-15,18,23-24,28-31,33H,16-17,19-22H2,2-8H3,(H,36,38)/t23-,24-,28+,29+,30-,31-,33-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50432563
PNG
(CHEMBL2347011 | US9115116, 8b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM175097
PNG
(US9115116, 6a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C34H47NO5Si/c1-9-24-11-14-26(15-12-24)35-33(37)39-30-19-22(2)18-25-13-10-23(3)29(32(25)30)17-16-27-20-28(21-31(36)38-27)40-41(7,8)34(4,5)6/h1,10-15,18,22-23,27-30,32H,16-17,19-21H2,2-8H3,(H,35,37)/t22-,23-,27+,28+,29-,30-,32-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432564
PNG
(CHEMBL2347010 | US9115116, 8a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C41H61N5O7Si/c1-27-22-30-14-13-28(2)34(20-19-32-24-33(25-38(48)51-32)53-54(6,7)41(3,4)5)39(30)36(23-27)52-40(49)42-31-17-15-29(16-18-31)35-26-46(45-43-35)21-11-9-8-10-12-37(47)44-50/h13-18,22,26-28,32-34,36,39,50H,8-12,19-21,23-25H2,1-7H3,(H,42,49)(H,44,47)/t27-,28-,32+,33+,34-,36-,39-/m0/s1
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US Patent
n/an/a 127n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432562
PNG
(CHEMBL2347005 | US9115116, 12a)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C33H56N2O7Si/c1-22-18-24-14-13-23(2)27(16-15-25-20-26(21-30(37)40-25)42-43(6,7)33(3,4)5)31(24)28(19-22)41-32(38)34-17-11-9-8-10-12-29(36)35-39/h13-14,18,22-23,25-28,31,39H,8-12,15-17,19-21H2,1-7H3,(H,34,38)(H,35,36)/t22-,23-,25+,26+,27-,28-,31-/m0/s1
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US Patent
n/an/a 140n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50432564
PNG
(CHEMBL2347010 | US9115116, 8a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C41H61N5O7Si/c1-27-22-30-14-13-28(2)34(20-19-32-24-33(25-38(48)51-32)53-54(6,7)41(3,4)5)39(30)36(23-27)52-40(49)42-31-17-15-29(16-18-31)35-26-46(45-43-35)21-11-9-8-10-12-37(47)44-50/h13-18,22,26-28,32-34,36,39,50H,8-12,19-21,23-25H2,1-7H3,(H,42,49)(H,44,47)/t27-,28-,32+,33+,34-,36-,39-/m0/s1
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n/an/a 159n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM175097
PNG
(US9115116, 6a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C34H47NO5Si/c1-9-24-11-14-26(15-12-24)35-33(37)39-30-19-22(2)18-25-13-10-23(3)29(32(25)30)17-16-27-20-28(21-31(36)38-27)40-41(7,8)34(4,5)6/h1,10-15,18,22-23,27-30,32H,16-17,19-21H2,2-8H3,(H,35,37)/t22-,23-,27+,28+,29-,30-,32-/m0/s1
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n/an/a 159n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432564
PNG
(CHEMBL2347010 | US9115116, 8a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C41H61N5O7Si/c1-27-22-30-14-13-28(2)34(20-19-32-24-33(25-38(48)51-32)53-54(6,7)41(3,4)5)39(30)36(23-27)52-40(49)42-31-17-15-29(16-18-31)35-26-46(45-43-35)21-11-9-8-10-12-37(47)44-50/h13-18,22,26-28,32-34,36,39,50H,8-12,19-21,23-25H2,1-7H3,(H,42,49)(H,44,47)/t27-,28-,32+,33+,34-,36-,39-/m0/s1
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n/an/a 463n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM175097
PNG
(US9115116, 6a)
Show SMILES C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C34H47NO5Si/c1-9-24-11-14-26(15-12-24)35-33(37)39-30-19-22(2)18-25-13-10-23(3)29(32(25)30)17-16-27-20-28(21-31(36)38-27)40-41(7,8)34(4,5)6/h1,10-15,18,22-23,27-30,32H,16-17,19-21H2,2-8H3,(H,35,37)/t22-,23-,27+,28+,29-,30-,32-/m0/s1
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n/an/a 463n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432562
PNG
(CHEMBL2347005 | US9115116, 12a)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C33H56N2O7Si/c1-22-18-24-14-13-23(2)27(16-15-25-20-26(21-30(37)40-25)42-43(6,7)33(3,4)5)31(24)28(19-22)41-32(38)34-17-11-9-8-10-12-29(36)35-39/h13-14,18,22-23,25-28,31,39H,8-12,15-17,19-21H2,1-7H3,(H,34,38)(H,35,36)/t22-,23-,25+,26+,27-,28-,31-/m0/s1
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n/an/a 658n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM175098
PNG
(US9115116, 6b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C35H49NO5Si/c1-9-25-11-13-26(14-12-25)22-36-34(38)40-31-19-23(2)18-27-15-10-24(3)30(33(27)31)17-16-28-20-29(21-32(37)39-28)41-42(7,8)35(4,5)6/h1,10-15,18,23-24,28-31,33H,16-17,19-22H2,2-8H3,(H,36,38)/t23-,24-,28+,29+,30-,31-,33-/m0/s1
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US Patent
n/an/a 882n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432563
PNG
(CHEMBL2347011 | US9115116, 8b)
Show SMILES C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
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n/an/a 882n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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US Patent
n/an/a 1.63E+4n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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US Patent
n/an/a 2.59E+4n/an/an/an/an/an/a



Academia Sinica; National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9115116 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W7F
More data for this
Ligand-Target Pair