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Patent code US10683289

Compile Data Set for Download or QSAR
Found 23 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445485
PNG
(US10683289, Example 8)
Show SMILES COc1cc2CN(C(C)(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C23H28N6O4S/c1-14(2)28-13-24-27-21(28)17-8-7-9-20(25-17)26-22(30)16-11-19-15(10-18(16)33-6)12-29(23(3,4)5)34(19,31)32/h7-11,13-14H,12H2,1-6H3,(H,25,26,30)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445488
PNG
(US10683289, Example 10)
Show SMILES COc1cc2CN(C(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C21H25N7O5S/c1-12(2)27-10-14-8-17(33-4)15(9-18(14)34(27,31)32)21(30)23-19-7-5-6-16(22-19)20-24-25-26-28(20)13(3)11-29/h5-9,12-13,29H,10-11H2,1-4H3,(H,22,23,30)/t13-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445504
PNG
(US10683289, Example 21)
Show SMILES COCCN1Cc2cc(F)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C20H22FN7O5S/c1-12(11-29)28-19(24-25-26-28)16-4-3-5-18(22-16)23-20(30)14-9-17-13(8-15(14)21)10-27(6-7-33-2)34(17,31)32/h3-5,8-9,12,29H,6-7,10-11H2,1-2H3,(H,22,23,30)/t12-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445496
PNG
(US10683289, Example 16)
Show SMILES COc1cc2CN(C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C20H22N6O4S/c1-12(2)26-11-21-24-19(26)15-6-5-7-18(22-15)23-20(27)14-9-17-13(8-16(14)30-4)10-25(3)31(17,28)29/h5-9,11-12H,10H2,1-4H3,(H,22,23,27)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445499
PNG
(US10683289, Example 18)
Show SMILES COc1cc2CN(C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C19H21N7O5S/c1-11(10-27)26-18(22-23-24-26)14-5-4-6-17(20-14)21-19(28)13-8-16-12(7-15(13)31-3)9-25(2)32(16,29)30/h4-8,11,27H,9-10H2,1-3H3,(H,20,21,28)/t11-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445505
PNG
(US10683289, Example 22)
Show SMILES COCCN1Cc2cc(OC)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C21H25N7O6S/c1-13(12-29)28-20(24-25-26-28)16-5-4-6-19(22-16)23-21(30)15-10-18-14(9-17(15)34-3)11-27(7-8-33-2)35(18,31)32/h4-6,9-10,13,29H,7-8,11-12H2,1-3H3,(H,22,23,30)/t13-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445482
PNG
(US10683289, Example 5)
Show SMILES COc1cc2CCN(C(C)(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1C(C)C
Show InChI InChI=1S/C23H29N7O4S/c1-14(2)30-21(26-27-28-30)17-8-7-9-20(24-17)25-22(31)16-13-19-15(12-18(16)34-6)10-11-29(23(3,4)5)35(19,32)33/h7-9,12-14H,10-11H2,1-6H3,(H,24,25,31)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445490
PNG
(US10683289, Example 11)
Show SMILES CCOc1cc2CN(C(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C22H27N7O5S/c1-5-34-18-9-15-11-28(13(2)3)35(32,33)19(15)10-16(18)22(31)24-20-8-6-7-17(23-20)21-25-26-27-29(21)14(4)12-30/h6-10,13-14,30H,5,11-12H2,1-4H3,(H,23,24,31)/t14-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445478
PNG
(US10683289, Example 3)
Show SMILES COc1cc2CN(C(C)(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C22H27N7O5S/c1-13(12-30)29-20(25-26-27-29)16-7-6-8-19(23-16)24-21(31)15-10-18-14(9-17(15)34-5)11-28(22(2,3)4)35(18,32)33/h6-10,13,30H,11-12H2,1-5H3,(H,23,24,31)/t13-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445486
PNG
(US10683289, Example 9)
Show SMILES CC(C)N1Cc2cc(F)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C20H22FN7O4S/c1-11(2)27-9-13-7-15(21)14(8-17(13)33(27,31)32)20(30)23-18-6-4-5-16(22-18)19-24-25-26-28(19)12(3)10-29/h4-8,11-12,29H,9-10H2,1-3H3,(H,22,23,30)/t12-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445493
PNG
(US10683289, Example 14)
Show SMILES CC(C)N1Cc2cc(N(C)C)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C22H28N8O4S/c1-13(2)29-11-15-9-18(28(4)5)16(10-19(15)35(29,33)34)22(32)24-20-8-6-7-17(23-20)21-25-26-27-30(21)14(3)12-31/h6-10,13-14,31H,11-12H2,1-5H3,(H,23,24,32)/t14-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445494
PNG
(US10683289, Example 15)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(CN(C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C19H19FN6O3S/c1-11(2)26-10-21-24-18(26)15-5-4-6-17(22-15)23-19(27)13-8-16-12(7-14(13)20)9-25(3)30(16,28)29/h4-8,10-11H,9H2,1-3H3,(H,22,23,27)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445477
PNG
(US10683289, Example 2)
Show SMILES C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(CN(C(C)(C)C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C21H24FN7O4S/c1-12(11-30)29-19(25-26-27-29)16-6-5-7-18(23-16)24-20(31)14-9-17-13(8-15(14)22)10-28(21(2,3)4)34(17,32)33/h5-9,12,30H,10-11H2,1-4H3,(H,23,24,31)/t12-/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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM130909
PNG
(US10683289, Example Staurosporine | US8822500, Sta...)
Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)
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n/an/a 55n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445484
PNG
(US10683289, Example 7)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(CN(C(C)(C)C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C22H25FN6O3S/c1-13(2)28-12-24-27-20(28)17-7-6-8-19(25-17)26-21(30)15-10-18-14(9-16(15)23)11-29(22(3,4)5)33(18,31)32/h6-10,12-13H,11H2,1-5H3,(H,25,26,30)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445502
PNG
(US10683289, Example 20)
Show SMILES COCCN1Cc2cc(OC)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C22H26N6O5S/c1-14(2)28-13-23-26-21(28)17-6-5-7-20(24-17)25-22(29)16-11-19-15(10-18(16)33-4)12-27(8-9-32-3)34(19,30)31/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,24,25,29)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445501
PNG
(US10683289, Example 19)
Show SMILES COCCN1Cc2cc(F)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C21H23FN6O4S/c1-13(2)28-12-23-26-20(28)17-5-4-6-19(24-17)25-21(29)15-10-18-14(9-16(15)22)11-27(7-8-32-3)33(18,30)31/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,24,25,29)
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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445492
PNG
(US10683289, Example 13)
Show SMILES CC(C)Oc1cc2CN(C(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C23H29N7O5S/c1-13(2)29-11-16-9-19(35-14(3)4)17(10-20(16)36(29,33)34)23(32)25-21-8-6-7-18(24-21)22-26-27-28-30(22)15(5)12-31/h6-10,13-15,31H,11-12H2,1-5H3,(H,24,25,32)/t15-/m1/s1
PDB

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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445498
PNG
(US10683289, Example 17)
Show SMILES C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(CN(C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C18H18FN7O4S/c1-10(9-27)26-17(22-23-24-26)14-4-3-5-16(20-14)21-18(28)12-7-15-11(6-13(12)19)8-25(2)31(15,29)30/h3-7,10,27H,8-9H2,1-2H3,(H,20,21,28)/t10-/m1/s1
PDB

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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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445481
PNG
(US10683289, Example 4)
Show SMILES CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(CCN(C(C)(C)C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C22H26FN7O3S/c1-13(2)30-20(26-27-28-30)17-7-6-8-19(24-17)25-21(31)15-12-18-14(11-16(15)23)9-10-29(22(3,4)5)34(18,32)33/h6-8,11-13H,9-10H2,1-5H3,(H,24,25,31)
PDB

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antibodypedia
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n/an/a 55n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445476
PNG
(US10683289, Example 1)
Show SMILES CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(CN(C(C)(C)C)S3(=O)=O)cc2F)n1
Show InChI InChI=1S/C21H24FN7O3S/c1-12(2)29-19(25-26-27-29)16-7-6-8-18(23-16)24-20(30)14-10-17-13(9-15(14)22)11-28(21(3,4)5)33(17,31)32/h6-10,12H,11H2,1-5H3,(H,23,24,30)
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n/an/a 550n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445491
PNG
(US10683289, Example 12)
Show SMILES CC(C)N1Cc2cc(OCC(F)(F)F)c(cc2S1(=O)=O)C(=O)Nc1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C22H24F3N7O5S/c1-12(2)31-9-14-7-17(37-11-22(23,24)25)15(8-18(14)38(31,35)36)21(34)27-19-6-4-5-16(26-19)20-28-29-30-32(20)13(3)10-33/h4-8,12-13,33H,9-11H2,1-3H3,(H,26,27,34)/t13-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM445483
PNG
(US10683289, Example 6)
Show SMILES COc1cc2CN(C(C)(C)C)S(=O)(=O)c2cc1C(=O)Nc1cccc(n1)-c1nnnn1C(C)C
Show InChI InChI=1S/C22H27N7O4S/c1-13(2)29-20(25-26-27-29)16-8-7-9-19(23-16)24-21(30)15-11-18-14(10-17(15)33-6)12-28(22(3,4)5)34(18,31)32/h7-11,13H,12H2,1-6H3,(H,23,24,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



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...


US Patent US10683289 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%