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Patent code US10968199

Compile Data Set for Download or QSAR
Found 30 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
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490085
PNG
(US10968199, Example 10)
Show SMILES CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cc2F)n1
Show InChI InChI=1S/C25H30FN7O3/c1-13(2)33-22(30-31-32-33)19-8-7-9-21(27-19)29-23(34)17-11-15(14(3)10-18(17)26)16-12-20(16)28-24(35)36-25(4,5)6/h7-11,13,16,20H,12H2,1-6H3,(H,28,35)(H,27,29,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490104
PNG
(US10968199, Example 23)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)C(C)(C)C
Show InChI InChI=1S/C27H34N6O3/c1-15(2)33-14-28-32-24(33)20-9-8-10-23(29-20)31-25(34)19-12-17(16(3)11-22(19)36-7)18-13-21(18)30-26(35)27(4,5)6/h8-12,14-15,18,21H,13H2,1-7H3,(H,30,35)(H,29,31,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490093
PNG
(US10968199, Example 15)
Show SMILES CCC1CC1c1cc(ncc1C)C(=O)Nc1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C22H26N6O/c1-5-15-9-17(15)16-10-19(23-11-14(16)4)22(29)26-20-8-6-7-18(25-20)21-27-24-12-28(21)13(2)3/h6-8,10-13,15,17H,5,9H2,1-4H3,(H,25,26,29)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490116
PNG
(US10968199, Example 27)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)CCC(F)(F)F)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C24H26F4N6O4S/c1-13-8-18(25)17(9-15(13)16-10-20(16)33-39(37,38)7-6-24(26,27)28)23(36)31-21-5-3-4-19(30-21)22-32-29-12-34(22)14(2)11-35/h3-5,8-9,12,14,16,20,33,35H,6-7,10-11H2,1-2H3,(H,30,31,36)/t14-,16?,20?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490110
PNG
(US10968199, Example 26)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)N(C)CCC(F)(F)F)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C26H29F4N7O3/c1-14-9-19(27)18(10-16(14)17-11-21(17)33-25(40)36(3)8-7-26(28,29)30)24(39)34-22-6-4-5-20(32-22)23-35-31-13-37(23)15(2)12-38/h4-6,9-10,13,15,17,21,38H,7-8,11-12H2,1-3H3,(H,33,40)(H,32,34,39)/t15-,17?,21?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490119
PNG
(US10968199, Example 29)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)C(C)(C)C)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C26H31FN6O3/c1-14-9-19(27)18(10-16(14)17-11-21(17)30-25(36)26(3,4)5)24(35)31-22-8-6-7-20(29-22)23-32-28-13-33(23)15(2)12-34/h6-10,13,15,17,21,34H,11-12H2,1-5H3,(H,30,36)(H,29,31,35)/t15-,17?,21?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490075
PNG
(US10968199, Example 1 | US10968199, Example 30)
Show SMILES CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(F)cc1C
Show InChI InChI=1S/C24H26FN5O3/c1-5-33-24(32)17-11-16(17)15-10-18(19(25)9-14(15)4)23(31)28-21-8-6-7-20(27-21)22-29-26-12-30(22)13(2)3/h6-10,12-13,16-17H,5,11H2,1-4H3,(H,27,28,31)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490107
PNG
(US10968199, Example 24)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3C(=O)N3CCC(F)(F)C3)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C26H27F3N6O3/c1-14-8-20(27)19(9-16(14)17-10-18(17)25(38)34-7-6-26(28,29)12-34)24(37)32-22-5-3-4-21(31-22)23-33-30-13-35(23)15(2)11-36/h3-5,8-9,13,15,17-18,36H,6-7,10-12H2,1-2H3,(H,31,32,37)/t15-,17?,18?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490101
PNG
(US10968199, Example 21)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NS(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C25H29F3N6O4S/c1-14(2)34-13-29-32-23(34)19-6-5-7-22(30-19)31-24(35)18-11-16(15(3)10-21(18)38-4)17-12-20(17)33-39(36,37)9-8-25(26,27)28/h5-7,10-11,13-14,17,20,33H,8-9,12H2,1-4H3,(H,30,31,35)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490097
PNG
(US10968199, Example 18)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)NCCC(F)(F)F
Show InChI InChI=1S/C26H30F3N7O3/c1-14(2)36-13-31-35-23(36)19-6-5-7-22(32-19)34-24(37)18-11-16(15(3)10-21(18)39-4)17-12-20(17)33-25(38)30-9-8-26(27,28)29/h5-7,10-11,13-14,17,20H,8-9,12H2,1-4H3,(H2,30,33,38)(H,32,34,37)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490100
PNG
(US10968199, Example 20)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NS(=O)(=O)N(C)C
Show InChI InChI=1S/C24H31N7O4S/c1-14(2)31-13-25-28-23(31)19-8-7-9-22(26-19)27-24(32)18-11-16(15(3)10-21(18)35-6)17-12-20(17)29-36(33,34)30(4)5/h7-11,13-14,17,20,29H,12H2,1-6H3,(H,26,27,32)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490096
PNG
(US10968199, Example 17)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)OC(F)(F)F
Show InChI InChI=1S/C24H25F3N6O4/c1-12(2)33-11-28-32-21(33)17-6-5-7-20(29-17)31-22(34)16-9-14(13(3)8-19(16)36-4)15-10-18(15)30-23(35)37-24(25,26)27/h5-9,11-12,15,18H,10H2,1-4H3,(H,30,35)(H,29,31,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490078
PNG
(US10968199, Example 4)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cc2F)n1
Show InChI InChI=1S/C26H31FN6O3/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)36-26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490095
PNG
(US10968199, Example 16)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1C(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C27H30F2N6O3/c1-15(2)35-14-30-33-24(35)21-6-5-7-23(31-21)32-25(36)20-11-17(16(3)10-22(20)38-4)18-12-19(18)26(37)34-9-8-27(28,29)13-34/h5-7,10-11,14-15,18-19H,8-9,12-13H2,1-4H3,(H,31,32,36)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490088
PNG
(US10968199, Example 11)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)C3CC3)c(C)cc2F)n1
Show InChI InChI=1S/C24H27FN6O3S/c1-13(2)31-12-26-29-23(31)20-5-4-6-22(27-20)28-24(32)18-10-16(14(3)9-19(18)25)17-11-21(17)30-35(33,34)15-7-8-15/h4-6,9-10,12-13,15,17,21,30H,7-8,11H2,1-3H3,(H,27,28,32)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490103
PNG
(US10968199, Example 22)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN6O3/c1-16(2)36-15-31-35-27(36)23-6-5-7-26(32-23)34-29(38)22-13-20(17(3)12-25(22)39-4)21-14-24(21)33-28(37)18-8-10-19(30)11-9-18/h5-13,15-16,21,24H,14H2,1-4H3,(H,33,37)(H,32,34,38)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490117
PNG
(US10968199, Example 28)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)N(C)C)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C23H28FN7O4S/c1-13-8-18(24)17(9-15(13)16-10-20(16)29-36(34,35)30(3)4)23(33)27-21-7-5-6-19(26-21)22-28-25-12-31(22)14(2)11-32/h5-9,12,14,16,20,29,32H,10-11H2,1-4H3,(H,26,27,33)/t14-,16?,20?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490082
PNG
(US10968199, Example 7)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)N(C)C)c(C)cc2F)n1
Show InChI InChI=1S/C23H28FN7O3S/c1-13(2)31-12-25-28-22(31)19-7-6-8-21(26-19)27-23(32)17-10-15(14(3)9-18(17)24)16-11-20(16)29-35(33,34)30(4)5/h6-10,12-13,16,20,29H,11H2,1-5H3,(H,26,27,32)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490077
PNG
(US10968199, Example 3)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3C(=O)NC3CC3)c(C)cc2F)n1
Show InChI InChI=1S/C25H27FN6O2/c1-13(2)32-12-27-31-23(32)21-5-4-6-22(29-21)30-25(34)19-10-16(14(3)9-20(19)26)17-11-18(17)24(33)28-15-7-8-15/h4-6,9-10,12-13,15,17-18H,7-8,11H2,1-3H3,(H,28,33)(H,29,30,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490076
PNG
(US10968199, Example 2)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3C(O)=O)c(C)cc2F)n1
Show InChI InChI=1S/C22H22FN5O3/c1-11(2)28-10-24-27-20(28)18-5-4-6-19(25-18)26-21(29)16-8-13(12(3)7-17(16)23)14-9-15(14)22(30)31/h4-8,10-11,14-15H,9H2,1-3H3,(H,30,31)(H,25,26,29)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490081
PNG
(US10968199, Example 6)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)c3ccc(F)cc3)c(C)cc2F)n1
Show InChI InChI=1S/C28H26F2N6O2/c1-15(2)36-14-31-35-26(36)23-5-4-6-25(32-23)34-28(38)21-12-19(16(3)11-22(21)30)20-13-24(20)33-27(37)17-7-9-18(29)10-8-17/h4-12,14-15,20,24H,13H2,1-3H3,(H,33,37)(H,32,34,38)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490092
PNG
(US10968199, Example 14)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)C(C)(C)C)c(C)cc2F)n1
Show InChI InChI=1S/C26H31FN6O2/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490089
PNG
(US10968199, Example 12)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3C(=O)N3CCC(F)(F)C3)c(C)cc2F)n1
Show InChI InChI=1S/C26H27F3N6O2/c1-14(2)35-13-30-33-23(35)21-5-4-6-22(31-21)32-24(36)19-10-16(15(3)9-20(19)27)17-11-18(17)25(37)34-8-7-26(28,29)12-34/h4-6,9-10,13-14,17-18H,7-8,11-12H2,1-3H3,(H,31,32,36)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490099
PNG
(US10968199, Example 19)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OCC(F)(F)F)c(C)cn2)n1
Show InChI InChI=1S/C23H24F3N7O3/c1-12(2)33-11-28-32-20(33)16-5-4-6-19(29-16)31-21(34)18-7-14(13(3)9-27-18)15-8-17(15)30-22(35)36-10-23(24,25)26/h4-7,9,11-12,15,17H,8,10H2,1-3H3,(H,30,35)(H,29,31,34)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490079
PNG
(US10968199, Example 5)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)N3CCC(F)(F)C3)c(C)cc2F)n1
Show InChI InChI=1S/C26H28F3N7O2/c1-14(2)36-13-30-34-23(36)20-5-4-6-22(31-20)33-24(37)18-10-16(15(3)9-19(18)27)17-11-21(17)32-25(38)35-8-7-26(28,29)12-35/h4-6,9-10,13-14,17,21H,7-8,11-12H2,1-3H3,(H,32,38)(H,31,33,37)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490083
PNG
(US10968199, Example 8)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cn2)n1
Show InChI InChI=1S/C25H31N7O3/c1-14(2)32-13-27-31-22(32)18-8-7-9-21(28-18)30-23(33)20-10-16(15(3)12-26-20)17-11-19(17)29-24(34)35-25(4,5)6/h7-10,12-14,17,19H,11H2,1-6H3,(H,29,34)(H,28,30,33)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490075
PNG
(US10968199, Example 1 | US10968199, Example 30)
Show SMILES CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(F)cc1C
Show InChI InChI=1S/C24H26FN5O3/c1-5-33-24(32)17-11-16(17)15-10-18(19(25)9-14(15)4)23(31)28-21-8-6-7-20(27-21)22-29-26-12-30(22)13(2)3/h6-10,12-13,16-17H,5,11H2,1-4H3,(H,27,28,31)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490109
PNG
(US10968199, Example 25)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OCC(F)(F)F)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C24H24F4N6O4/c1-12-6-17(25)16(7-14(12)15-8-19(15)31-23(37)38-10-24(26,27)28)22(36)32-20-5-3-4-18(30-20)21-33-29-11-34(21)13(2)9-35/h3-7,11,13,15,19,35H,8-10H2,1-2H3,(H,31,37)(H,30,32,36)/t13-,15?,19?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490084
PNG
(US10968199, Example 9)
Show SMILES C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(C3CC(C3)NC(=O)OC(C)(C)C)c(C)cn2)n1 |wD:1.0,(-.61,8.02,;-2.07,7.54,;-2.39,6.03,;-1.25,5,;-3.22,8.57,;-4.73,8.25,;-5.5,9.59,;-4.46,10.73,;-3.06,10.1,;-1.72,10.87,;-1.72,12.41,;-.39,13.18,;.94,12.41,;.94,10.87,;2.28,10.1,;2.28,8.56,;.94,7.79,;3.61,7.79,;3.61,6.25,;4.94,5.48,;4.94,3.94,;6.03,2.85,;4.94,1.77,;3.86,2.85,;4.94,.23,;6.28,-.54,;7.61,.23,;6.28,-2.08,;7.61,-2.85,;8.95,-3.62,;6.84,-4.19,;8.38,-1.52,;6.28,6.25,;7.61,5.48,;6.28,7.79,;4.94,8.56,;-.39,10.1,)|
Show InChI InChI=1S/C25H32N8O4/c1-14-12-26-20(11-18(14)16-9-17(10-16)27-24(36)37-25(3,4)5)23(35)29-21-8-6-7-19(28-21)22-30-31-32-33(22)15(2)13-34/h6-8,11-12,15-17,34H,9-10,13H2,1-5H3,(H,27,36)(H,28,29,35)/t15-,16?,17?/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490090
PNG
(US10968199, Example 13)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)N(C)CCC(F)(F)F)c(C)cc2F)n1
Show InChI InChI=1S/C26H29F4N7O2/c1-14(2)37-13-31-35-23(37)20-6-5-7-22(32-20)34-24(38)18-11-16(15(3)10-19(18)27)17-12-21(17)33-25(39)36(4)9-8-26(28,29)30/h5-7,10-11,13-14,17,21H,8-9,12H2,1-4H3,(H,33,39)(H,32,34,38)
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%