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Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'ceci' and Initial = 'a'   
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))
BDBM19152
PNG
((1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-ox...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O |r,t:13|
Show InChI InChI=1S/C20H30N4O6S2/c1-11(2)17-20(29)21-9-16(26)30-13-6-4-5-7-31-32-10-14(19(28)24-17)23-18(27)12(3)22-15(25)8-13/h4,6,11-14,17H,5,7-10H2,1-3H3,(H,21,29)(H,22,25)(H,23,27)(H,24,28)/b6-4+/t12-,13-,14-,17-/m1/s1
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n/an/a 1.60n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19153
PNG
((1S,7R,10S,16E,21R)-7,21-bis(propan-2-yl)-2-oxa-12...)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H]2OC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26|
Show InChI InChI=1S/C22H34N4O6S2/c1-12(2)18-21(30)23-10-17(28)32-14-7-5-6-8-33-34-11-15(20(29)26-18)24-22(31)19(13(3)4)25-16(27)9-14/h5,7,12-15,18-19H,6,8-11H2,1-4H3,(H,23,30)(H,24,31)(H,25,27)(H,26,29)/b7-5+/t14-,15-,18-,19-/m1/s1
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n/an/a 1.60n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM310701
PNG
(US10150763, Example A)
Show SMILES Cc1nsc(n1)N(CCCCCCC(=O)NO)c1ccccn1
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n/an/a 1.76n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US10150763 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CC1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19151
PNG
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)
Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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n/an/a 3.97n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
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=1/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-/s2
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 5n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291360
PNG
(US9580442, Example H | [2-(1H-Indol-4-yl)-4-morpho...)
Show SMILES CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 6n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291358
PNG
((E)-1-(4-Methyl-piperazin-1-yl)-3-[4-morpholin-4-y...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 6n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291363
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-y...)
Show SMILES C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 6n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291355
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
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n/an/a 7n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291365
PNG
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)
Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 10n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291361
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-piperidin-1-y...)
Show SMILES C(N1CCCCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 10n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291354
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12
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n/an/a 15n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19154
PNG
((6R,9R,12R,16R)-9,12-dimethyl-6-(propan-2-yl)-16-[...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCS |r|
Show InChI InChI=1S/C20H32N4O6S/c1-11(2)17-20(29)21-10-16(26)30-14(7-5-6-8-31)9-15(25)22-12(3)18(27)23-13(4)19(28)24-17/h5,7,11-14,17,31H,6,8-10H2,1-4H3,(H,21,29)(H,22,25)(H,23,27)(H,24,28)/b7-5+/t12-,13-,14?,17-/m1/s1
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n/an/a 17.5n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291355
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12
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n/an/a 19n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291364
PNG
(US9580442, Example L | [2-(1H-Indol-4-yl)-4-morpho...)
Show SMILES COCCN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 21n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
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=1/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-/s2
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
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n/an/a 22n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291365
PNG
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)
Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 25n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
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n/an/a 26n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM291356
PNG
(4-Morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccnc2[nH]ccc12
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n/an/a 33n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
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=1/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-/s2
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291354
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12
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n/an/a 54n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291356
PNG
(4-Morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccnc2[nH]ccc12
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n/an/a 57n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291360
PNG
(US9580442, Example H | [2-(1H-Indol-4-yl)-4-morpho...)
Show SMILES CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291363
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-y...)
Show SMILES C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291365
PNG
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)
Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19155
PNG
((6R,9S,12R,16R)-16-[(1E)-4-(acetylsulfanyl)but-1-e...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O |r|
Show InChI InChI=1S/C22H34N4O7S/c1-12(2)19-22(32)23-11-18(29)33-16(8-6-7-9-34-15(5)27)10-17(28)24-13(3)20(30)25-14(4)21(31)26-19/h6,8,12-14,16,19H,7,9-11H2,1-5H3,(H,23,32)(H,24,28)(H,25,30)(H,26,31)/b8-6+/t13-,14+,16?,19-/m1/s1
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n/an/a>100n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291356
PNG
(4-Morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccnc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291356
PNG
(4-Morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccnc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291358
PNG
((E)-1-(4-Methyl-piperazin-1-yl)-3-[4-morpholin-4-y...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291364
PNG
(US9580442, Example L | [2-(1H-Indol-4-yl)-4-morpho...)
Show SMILES COCCN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
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=1/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-/s2
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291358
PNG
((E)-1-(4-Methyl-piperazin-1-yl)-3-[4-morpholin-4-y...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291354
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291355
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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 196n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291360
PNG
(US9580442, Example H | [2-(1H-Indol-4-yl)-4-morpho...)
Show SMILES CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291365
PNG
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)
Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 219n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
PDB
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM310701
PNG
(US10150763, Example A)
Show SMILES Cc1nsc(n1)N(CCCCCCC(=O)NO)c1ccccn1
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n/an/a 226n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US10150763 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CC1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291358
PNG
((E)-1-(4-Methyl-piperazin-1-yl)-3-[4-morpholin-4-y...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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n/an/a 269n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
PDB
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291355
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291363
PNG
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-y...)
Show SMILES C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
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Karus Therapeutics Limited

US Patent




US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
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Ligand-Target Pair
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