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Patent code US10597382

Compile Data Set for Download or QSAR
Found 16 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))
BDBM437710
PNG
(US10597382, Example 1)
Show SMILES CC(C)c1nnnn1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H22N8O/c1-14(2)22-26-27-28-31(22)21-5-3-4-20(25-21)30-11-16-8-9-17(10-18(16)23(30)32)29-12-19(24-13-29)15-6-7-15/h3-5,8-10,12-15H,6-7,11H2,1-2H3
PDB

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n/an/a 5.5n/an/an/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437775
PNG
(US10597382, Example 14)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1C)c1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C21H24N6O3/c1-12(2)30-18-9-16-15(8-13(18)3)10-26(21(16)29)19-7-5-6-17(22-19)20-23-24-25-27(20)14(4)11-28/h5-9,12,14,28H,10-11H2,1-4H3/t14-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437770
PNG
(US10597382, Example 13)
Show SMILES CC(C)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccnc1
Show InChI InChI=1S/C22H19N7O/c1-14(2)29-21(25-26-27-29)19-6-3-7-20(24-19)28-13-17-9-8-15(11-18(17)22(28)30)16-5-4-10-23-12-16/h3-12,14H,13H2,1-2H3
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437726
PNG
(US10597382, Example 6)
Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nnnn1[C@H](C)CO
Show InChI InChI=1S/C20H22N6O3/c1-12(2)29-15-8-7-14-10-25(20(28)16(14)9-15)18-6-4-5-17(21-18)19-22-23-24-26(19)13(3)11-27/h4-9,12-13,27H,10-11H2,1-3H3/t13-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437720
PNG
(US10597382, Example 3 | US10597382, Example 4)
Show SMILES C[C@H](COC(C)=O)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C25H24N8O3/c1-15(13-36-16(2)34)33-24(28-29-30-33)21-4-3-5-23(27-21)32-11-18-8-9-19(10-20(18)25(32)35)31-12-22(26-14-31)17-6-7-17/h3-5,8-10,12,14-15,17H,6-7,11,13H2,1-2H3/t15-/m1/s1
PDB

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



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437711
PNG
(US10597382, Example 2)
Show SMILES CC(C)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H22N8O/c1-14(2)31-22(26-27-28-31)19-4-3-5-21(25-19)30-11-16-8-9-17(10-18(16)23(30)32)29-12-20(24-13-29)15-6-7-15/h3-5,8-10,12-15H,6-7,11H2,1-2H3
PDB

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



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437728
PNG
(US10597382, Example 7)
Show SMILES CC(C)n1nnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H16N6O/c1-11(2)23-16(19-20-21-23)14-8-5-9-15(18-14)22-10-12-6-3-4-7-13(12)17(22)24/h3-9,11H,10H2,1-2H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437778
PNG
(US10597382, Example 15)
Show SMILES CC(C)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cncc(c1)C1CC1
Show InChI InChI=1S/C25H23N7O/c1-15(2)32-24(28-29-30-32)22-4-3-5-23(27-22)31-14-18-9-8-17(11-21(18)25(31)33)20-10-19(12-26-13-20)16-6-7-16/h3-5,8-13,15-16H,6-7,14H2,1-2H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437749
PNG
(US10597382, Example 10)
Show SMILES CCN1CCN(CC1=O)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-n1nnnc1C(C)C
Show InChI InChI=1S/C23H26N8O2/c1-4-28-10-11-29(14-21(28)32)17-9-8-16-13-30(23(33)18(16)12-17)19-6-5-7-20(24-19)31-22(15(2)3)25-26-27-31/h5-9,12,15H,4,10-11,13-14H2,1-3H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437737
PNG
(US10597382, Example 9)
Show SMILES CC(C)c1nnnn1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccnc1
Show InChI InChI=1S/C22H19N7O/c1-14(2)21-25-26-27-29(21)20-7-3-6-19(24-20)28-13-17-9-8-15(11-18(17)22(28)30)16-5-4-10-23-12-16/h3-12,14H,13H2,1-2H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437779
PNG
(US10597382, Example 16)
Show SMILES CC(C)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C25H23N7O/c1-15(2)32-24(28-29-30-32)22-4-3-5-23(27-22)31-14-19-9-8-17(12-20(19)25(31)33)18-10-11-21(26-13-18)16-6-7-16/h3-5,8-13,15-16H,6-7,14H2,1-2H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437720
PNG
(US10597382, Example 3 | US10597382, Example 4)
Show SMILES C[C@H](COC(C)=O)n1nnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C25H24N8O3/c1-15(13-36-16(2)34)33-24(28-29-30-33)21-4-3-5-23(27-21)32-11-18-8-9-19(10-20(18)25(32)35)31-12-22(26-14-31)17-6-7-17/h3-5,8-10,12,14-15,17H,6-7,11,13H2,1-2H3/t15-/m1/s1
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437729
PNG
(US10597382, Example 8)
Show SMILES CC(C)c1nnnn1-c1cccc(n1)N1Cc2ccc(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C21H23N7O2/c1-14(2)20-23-24-25-28(20)19-5-3-4-18(22-19)27-13-15-6-7-16(12-17(15)21(27)29)26-8-10-30-11-9-26/h3-7,12,14H,8-11,13H2,1-2H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437759
PNG
(US10597382, Example 12)
Show SMILES CC(C)c1nnnn1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cnccc1C
Show InChI InChI=1S/C23H21N7O/c1-14(2)22-26-27-28-30(22)21-6-4-5-20(25-21)29-13-17-8-7-16(11-18(17)23(29)31)19-12-24-10-9-15(19)3/h4-12,14H,13H2,1-3H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437756
PNG
(US10597382, Example 11)
Show SMILES CC(C)c1nnnn1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccnc1C
Show InChI InChI=1S/C23H21N7O/c1-14(2)22-26-27-28-30(22)21-8-4-7-20(25-21)29-13-17-10-9-16(12-19(17)23(29)31)18-6-5-11-24-15(18)3/h4-12,14H,13H2,1-3H3
PDB

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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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


(Homo sapiens (Human))
BDBM437722
PNG
(US10597382, Example 5)
Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nnnn1[C@H](C)COC(C)=O
Show InChI InChI=1S/C22H24N6O4/c1-13(2)32-17-9-8-16-11-27(22(30)18(16)10-17)20-7-5-6-19(23-20)21-24-25-26-28(21)14(3)12-31-15(4)29/h5-10,13-14H,11-12H2,1-4H3/t14-/m1/s1
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...


US Patent US10597382 (2020)

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