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Patent code US8865655

Compile Data Set for Download or QSAR
Found 4 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 1


(Homo sapiens (Human))		BDBM136702
PNG
(US8865655, 10)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)C[C@@H]1O)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C22H37N3O6S/c1-12(2)19-16(26)11-18(28)31-15(8-6-7-9-32)10-17(27)24-20(13(3)4)22(30)23-14(5)21(29)25-19/h6,8,12-16,19-20,26,32H,7,9-11H2,1-5H3,(H,23,30)(H,24,27)(H,25,29)/b8-6+/t14-,15-,16+,19-,20-/m1/s1
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US Patent
n/an/a 4.40n/an/an/an/an/a25



Karus Therapeutics Limited

US Patent


Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...

US Patent US8865655 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036V4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM136703
PNG
(US8865655, 11)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)C[C@@H]1O)\C=C\CCSC(C)=O)C(C)C |r|
Show InChI InChI=1S/C24H39N3O7S/c1-13(2)21-18(29)12-20(31)34-17(9-7-8-10-35-16(6)28)11-19(30)26-22(14(3)4)24(33)25-15(5)23(32)27-21/h7,9,13-15,17-18,21-22,29H,8,10-12H2,1-6H3,(H,25,33)(H,26,30)(H,27,32)/b9-7+/t15-,17-,18+,21-,22-/m1/s1
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n/an/a 21.6n/an/an/an/an/a25



Karus Therapeutics Limited

US Patent


Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...

US Patent US8865655 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036V4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM136704
PNG
(US8865655, 16)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@H](OC(=O)CNC1=O)\C=C\CCS |r|
Show InChI InChI=1S/C26H36N4O6S/c1-16(2)23-26(35)27-15-22(32)36-19(11-7-8-12-37)14-21(31)28-17(3)24(33)29-20(25(34)30-23)13-18-9-5-4-6-10-18/h4-7,9-11,16-17,19-20,23,37H,8,12-15H2,1-3H3,(H,27,35)(H,28,31)(H,29,33)(H,30,34)/b11-7+/t17-,19-,20-,23-/m1/s1
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US Patent
n/an/a 47n/an/an/an/an/a25



Karus Therapeutics Limited

US Patent


Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...

US Patent US8865655 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036V4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM136705
PNG
(US8865655, 17)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O |r|
Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25-28(38)29-16-24(35)39-21(12-8-9-13-40-19(4)33)15-23(34)30-18(3)26(36)31-22(27(37)32-25)14-20-10-6-5-7-11-20/h5-8,10-12,17-18,21-22,25H,9,13-16H2,1-4H3,(H,29,38)(H,30,34)(H,31,36)(H,32,37)/b12-8+/t18-,21-,22-,25-/m1/s1
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US Patent
n/an/a 126n/an/an/an/an/a25



Karus Therapeutics Limited

US Patent


Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...

US Patent US8865655 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036V4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%