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Patent code US10654833

Compile Data Set for Download or QSAR
Found 96 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))
BDBM443131
PNG
(US10654833, Compound 5)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(ccc1F)C(O)=O
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)18-11-16(25(33)34)8-9-20(18)26/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 0.300n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443190
PNG
(US10654833, Compound 102)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C28H27N5O3/c1-17(2)33-16-29-31-25(33)23-9-6-10-24(30-23)32-15-20-12-11-19(14-22(20)26(32)34)18-7-5-8-21(13-18)28(3,4)27(35)36/h5-14,16-17H,15H2,1-4H3,(H,35,36)
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n/an/a 0.700n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443135
PNG
(US10654833, Compound 13)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(cc(c1)C(O)=O)C#N
Show InChI InChI=1S/C26H20N6O3/c1-15(2)32-14-28-30-24(32)22-4-3-5-23(29-22)31-13-18-7-6-17(11-21(18)25(31)33)19-8-16(12-27)9-20(10-19)26(34)35/h3-11,14-15H,13H2,1-2H3,(H,34,35)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443199
PNG
(US10654833, Compound 113)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1nccc(C(O)=O)c1F
Show InChI InChI=1S/C24H19FN6O3/c1-13(2)31-12-27-29-22(31)18-4-3-5-19(28-18)30-11-15-7-6-14(10-17(15)23(30)32)21-20(25)16(24(33)34)8-9-26-21/h3-10,12-13H,11H2,1-2H3,(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443174
PNG
(US10654833, Compound 86)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C28H25N5O3/c1-17(2)33-16-29-31-25(33)23-4-3-5-24(30-23)32-15-20-7-6-19(14-22(20)26(32)34)18-8-10-21(11-9-18)28(12-13-28)27(35)36/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,35,36)
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n/an/a 1.83n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443203
PNG
(US10654833, Compound 117)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cnc(N)c(c1)C(O)=O
Show InChI InChI=1S/C24H21N7O3/c1-13(2)31-12-27-29-22(31)19-4-3-5-20(28-19)30-11-15-7-6-14(8-17(15)23(30)32)16-9-18(24(33)34)21(25)26-10-16/h3-10,12-13H,11H2,1-2H3,(H2,25,26)(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443200
PNG
(US10654833, Compound 114)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1nccc(C(O)=O)c1C
Show InChI InChI=1S/C25H22N6O3/c1-14(2)31-13-27-29-23(31)20-5-4-6-21(28-20)30-12-17-8-7-16(11-19(17)24(30)32)22-15(3)18(25(33)34)9-10-26-22/h4-11,13-14H,12H2,1-3H3,(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443175
PNG
(US10654833, Compound 87)
Show SMILES OC(=O)C1(CC1)c1ccc(cc1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C28H23N5O3/c34-26-22-14-18(17-6-8-20(9-7-17)28(12-13-28)27(35)36)4-5-19(22)15-32(26)24-3-1-2-23(30-24)25-31-29-16-33(25)21-10-11-21/h1-9,14,16,21H,10-13,15H2,(H,35,36)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443142
PNG
(US10654833, Compound 53)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(F)(F)F
Show InChI InChI=1S/C26H20F3N5O3/c1-25(2,24(36)37)18-10-8-15(9-11-18)16-6-7-17-13-33(23(35)19(17)12-16)21-5-3-4-20(31-21)22-32-30-14-34(22)26(27,28)29/h3-12,14H,13H2,1-2H3,(H,36,37)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443165
PNG
(US10654833, Compound 77)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H23N5O5S/c1-15(2)31-14-27-29-24(31)21-5-4-6-23(28-21)30-13-18-8-7-16(11-20(18)25(30)32)17-9-10-19(26(33)34)22(12-17)37(3,35)36/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443218
PNG
(US10654833, Compound 37)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)C(C)(C)c1nn[nH]n1
Show InChI InChI=1S/C28H27N9O/c1-17(2)37-16-29-31-25(37)23-6-5-7-24(30-23)36-15-20-9-8-19(14-22(20)26(36)38)18-10-12-21(13-11-18)28(3,4)27-32-34-35-33-27/h5-14,16-17H,15H2,1-4H3,(H,32,33,34,35)
PDB

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n/an/a 2.80n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443170
PNG
(US10654833, Compound 82)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C26H21N5O3/c1-15(2)31-14-27-29-24(31)22-4-3-5-23(28-22)30-12-18-7-6-17(11-21(18)25(30)32)16-8-9-20-19(10-16)13-34-26(20)33/h3-11,14-15H,12-13H2,1-2H3
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443189
PNG
(US10654833, Compound 101)
Show SMILES COC(=O)c1ccc(F)c(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C26H20FN5O3/c1-35-26(34)16-7-10-21(27)19(12-16)15-5-6-17-13-31(25(33)20(17)11-15)23-4-2-3-22(29-23)24-30-28-14-32(24)18-8-9-18/h2-7,10-12,14,18H,8-9,13H2,1H3
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443140
PNG
(US10654833, Compound 39 | US10654833, Compound 67)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18(25(33)34)20(26)11-16/h3-11,13-14H,12H2,1-2H3,(H,33,34)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443140
PNG
(US10654833, Compound 39 | US10654833, Compound 67)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18(25(33)34)20(26)11-16/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Compound binding to the ASK1 kinase active site was determined using the KINOMEscan Assay platform (DiscoverX, San Diego, Calif.). Briefly, ASK1-tagg...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443183
PNG
(US10654833, Compound 95)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(C(O)=O)c1O
Show InChI InChI=1S/C25H21N5O4/c1-14(2)30-13-26-28-23(30)20-7-4-8-21(27-20)29-12-16-10-9-15(11-19(16)24(29)32)17-5-3-6-18(22(17)31)25(33)34/h3-11,13-14,31H,12H2,1-2H3,(H,33,34)
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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443209
PNG
(US10654833, Compound 123)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2ncc(C(O)=O)n2c1
Show InChI InChI=1S/C26H21N7O3/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-13-18-7-6-16(10-19(18)25(32)34)17-8-9-22-27-11-21(26(35)36)31(22)12-17/h3-12,14-15H,13H2,1-2H3,(H,35,36)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443173
PNG
(US10654833, Compound 85)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C27H25N5O3/c1-16(2)32-15-28-30-25(32)23-5-4-6-24(29-23)31-14-21-12-11-20(13-22(21)26(31)33)19-9-7-18(8-10-19)17(3)27(34)35/h4-13,15-17H,14H2,1-3H3,(H,34,35)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443208
PNG
(US10654833, Compound 122)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2c(cnn2c1)C(O)=O
Show InChI InChI=1S/C26H21N7O3/c1-15(2)32-14-27-30-24(32)21-4-3-5-23(29-21)31-12-18-7-6-16(10-19(18)25(31)34)17-8-9-22-20(26(35)36)11-28-33(22)13-17/h3-11,13-15H,12H2,1-2H3,(H,35,36)
PDB

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n/an/a 3.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443139
PNG
(US10654833, Compound 35)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C26H19N5O4/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18-20(11-16)26(34)35-25(18)33/h3-11,13-14H,12H2,1-2H3
PDB

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n/an/a 4n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443207
PNG
(US10654833, Compound 121)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2nc(sc2c1)C(O)=O
Show InChI InChI=1S/C26H20N6O3S/c1-14(2)32-13-27-30-23(32)20-4-3-5-22(28-20)31-12-17-7-6-15(10-18(17)25(31)33)16-8-9-19-21(11-16)36-24(29-19)26(34)35/h3-11,13-14H,12H2,1-2H3,(H,34,35)
PDB

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n/an/a 4.10n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443172
PNG
(US10654833, Compound 84)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H23N5O3/c1-16(2)31-15-27-29-25(31)22-4-3-5-23(28-22)30-14-20-11-10-19(13-21(20)26(30)34)18-8-6-17(7-9-18)12-24(32)33/h3-11,13,15-16H,12,14H2,1-2H3,(H,32,33)
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n/an/a 4.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443128
PNG
(US10654833, Compound 2)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(C(O)=O)c1F
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)20-7-4-8-21(28-20)30-12-16-10-9-15(11-19(16)24(30)32)17-5-3-6-18(22(17)26)25(33)34/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443159
PNG
(US10654833, Compound 71)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H19N5O3/c31-24-20-12-17(15-4-6-16(7-5-15)25(32)33)8-9-18(20)13-29(24)22-3-1-2-21(27-22)23-28-26-14-30(23)19-10-11-19/h1-9,12,14,19H,10-11,13H2,(H,32,33)
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n/an/a 4.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443178
PNG
(US10654833, Compound 90)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C27H25N5O3/c1-17(2)32-16-28-30-26(32)23-4-3-5-24(29-23)31-15-21-12-11-20(14-22(21)27(31)35)19-9-6-18(7-10-19)8-13-25(33)34/h3-7,9-12,14,16-17H,8,13,15H2,1-2H3,(H,33,34)
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n/an/a 4.40n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443167
PNG
(US10654833, Compound 79)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(C(O)=O)c(F)cc1C
Show InChI InChI=1S/C26H22FN5O3/c1-14(2)32-13-28-30-24(32)22-5-4-6-23(29-22)31-12-17-8-7-16(10-19(17)25(31)33)18-11-20(26(34)35)21(27)9-15(18)3/h4-11,13-14H,12H2,1-3H3,(H,34,35)
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n/an/a 4.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443166
PNG
(US10654833, Compound 78)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C25H19F2N5O3/c1-13(2)32-12-28-30-23(32)20-4-3-5-21(29-20)31-11-15-7-6-14(8-17(15)24(31)33)16-9-18(26)22(25(34)35)19(27)10-16/h3-10,12-13H,11H2,1-2H3,(H,34,35)
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n/an/a 4.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443202
PNG
(US10654833, Compound 116)
Show SMILES COc1ncc(cc1C(O)=O)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C25H22N6O4/c1-14(2)31-13-27-29-22(31)20-5-4-6-21(28-20)30-12-16-8-7-15(9-18(16)24(30)32)17-10-19(25(33)34)23(35-3)26-11-17/h4-11,13-14H,12H2,1-3H3,(H,33,34)
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n/an/a 4.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443141
PNG
(US10654833, Compound 41)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C28H27N5O3/c1-17(2)33-16-29-31-25(33)23-6-5-7-24(30-23)32-15-20-9-8-19(14-22(20)26(32)34)18-10-12-21(13-11-18)28(3,4)27(35)36/h5-14,16-17H,15H2,1-4H3,(H,35,36)
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n/an/a 4.70n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443185
PNG
(US10654833, Compound 97)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(F)cc(C(O)=O)c1F
Show InChI InChI=1S/C25H19F2N5O3/c1-13(2)32-12-28-30-23(32)20-4-3-5-21(29-20)31-11-15-7-6-14(8-18(15)24(31)33)17-9-16(26)10-19(22(17)27)25(34)35/h3-10,12-13H,11H2,1-2H3,(H,34,35)
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n/an/a 4.70n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443160
PNG
(US10654833, Compound 72)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H20ClN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18(25(33)34)20(26)11-16/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 4.70n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443184
PNG
(US10654833, Compound 96)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)21-5-4-6-23(28-21)30-13-18-8-7-16(11-19(18)25(30)32)17-9-10-22(35-3)20(12-17)26(33)34/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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n/an/a 4.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443186
PNG
(US10654833, Compound 98)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(cc(F)c1C)C(O)=O
Show InChI InChI=1S/C26H22FN5O3/c1-14(2)32-13-28-30-24(32)22-5-4-6-23(29-22)31-12-17-8-7-16(9-20(17)25(31)33)19-10-18(26(34)35)11-21(27)15(19)3/h4-11,13-14H,12H2,1-3H3,(H,34,35)
PDB

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n/an/a 4.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443177
PNG
(US10654833, Compound 89)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C26H23N5O4/c1-16(2)31-15-27-29-25(31)22-4-3-5-23(28-22)30-13-19-7-6-18(12-21(19)26(30)34)17-8-10-20(11-9-17)35-14-24(32)33/h3-12,15-16H,13-14H2,1-2H3,(H,32,33)
PDB

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n/an/a 4.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443176
PNG
(US10654833, Compound 88)
Show SMILES COC(=O)C(C)(C)c1ccc(cc1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C29H29N5O3/c1-18(2)34-17-30-32-26(34)24-7-6-8-25(31-24)33-16-21-10-9-20(15-23(21)27(33)35)19-11-13-22(14-12-19)29(3,4)28(36)37-5/h6-15,17-18H,16H2,1-5H3
PDB

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n/an/a 4.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443129
PNG
(US10654833, Compound 3)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-18(17)24(30)32)16-8-9-20(26)19(11-16)25(33)34/h3-11,13-14H,12H2,1-2H3,(H,33,34)
PDB

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n/an/a 4.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443148
PNG
(US10654833, Compound 60)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C25H20ClN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-18(17)24(30)32)16-8-9-20(26)19(11-16)25(33)34/h3-11,13-14H,12H2,1-2H3,(H,33,34)
PDB

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n/an/a 5n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443149
PNG
(US10654833, Compound 61)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc2cc([nH]c2c1)C(O)=O
Show InChI InChI=1S/C27H22N6O3/c1-15(2)33-14-28-31-25(33)21-4-3-5-24(30-21)32-13-19-9-7-16(10-20(19)26(32)34)17-6-8-18-12-23(27(35)36)29-22(18)11-17/h3-12,14-15,29H,13H2,1-2H3,(H,35,36)
PDB

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n/an/a 5.10n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443146
PNG
(US10654833, Compound 58)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1CO)C(O)=O
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)22-4-3-5-23(28-22)30-12-18-7-6-16(11-21(18)25(30)33)20-9-8-17(26(34)35)10-19(20)13-32/h3-11,14-15,32H,12-13H2,1-2H3,(H,34,35)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443151
PNG
(US10654833, Compound 63)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C24H20N6O3/c1-14(2)30-13-26-28-22(30)20-4-3-5-21(27-20)29-12-16-7-6-15(9-19(16)23(29)31)17-8-18(24(32)33)11-25-10-17/h3-11,13-14H,12H2,1-2H3,(H,32,33)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443196
PNG
(US10654833, Compound 108)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H23N5O4/c1-16(2)31-15-27-29-25(31)22-7-4-8-23(28-22)30-13-19-10-9-18(12-21(19)26(30)34)17-5-3-6-20(11-17)35-14-24(32)33/h3-12,15-16H,13-14H2,1-2H3,(H,32,33)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443168
PNG
(US10654833, Compound 80)
Show SMILES COc1c(C)cc(cc1C(O)=O)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C27H25N5O4/c1-15(2)32-14-28-30-25(32)22-6-5-7-23(29-22)31-13-18-9-8-17(11-20(18)26(31)33)19-10-16(3)24(36-4)21(12-19)27(34)35/h5-12,14-15H,13H2,1-4H3,(H,34,35)
PDB

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Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443127
PNG
(US10654833, Compound 1)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-7-4-8-22(27-21)29-13-19-10-9-17(12-20(19)24(29)31)16-5-3-6-18(11-16)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
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n/an/a 5.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443205
PNG
(US10654833, Compound 119)
Show SMILES CCn1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(cnn1)C(O)=O
Show InChI InChI=1S/C22H17N7O3/c1-2-28-12-24-27-20(28)17-4-3-5-19(25-17)29-11-14-7-6-13(8-16(14)21(29)30)18-9-15(22(31)32)10-23-26-18/h3-10,12H,2,11H2,1H3,(H,31,32)
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n/an/a 5.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443195
PNG
(US10654833, Compound 107)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C27H25N5O3/c1-17(2)32-16-28-30-26(32)23-7-4-8-24(29-23)31-15-21-11-10-20(14-22(21)27(31)35)19-6-3-5-18(13-19)9-12-25(33)34/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3,(H,33,34)
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n/an/a 5.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443127
PNG
(US10654833, Compound 1)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-7-4-8-22(27-21)29-13-19-10-9-17(12-20(19)24(29)31)16-5-3-6-18(11-16)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
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n/an/a 5.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Compound binding to the ASK1 kinase active site was determined using the KINOMEscan Assay platform (DiscoverX, San Diego, Calif.). Briefly, ASK1-tagg...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443147
PNG
(US10654833, Compound 59)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(ccc1CO)C(O)=O
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)22-4-3-5-23(28-22)30-12-18-8-6-16(10-21(18)25(30)33)20-11-17(26(34)35)7-9-19(20)13-32/h3-11,14-15,32H,12-13H2,1-2H3,(H,34,35)
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n/an/a 5.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443137
PNG
(US10654833, Compound 20)
Show SMILES OC(=O)c1cccc(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H19N5O3/c31-24-20-12-16(15-3-1-4-17(11-15)25(32)33)7-8-18(20)13-29(24)22-6-2-5-21(27-22)23-28-26-14-30(23)19-9-10-19/h1-8,11-12,14,19H,9-10,13H2,(H,32,33)
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n/an/a 5.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443143
PNG
(US10654833, Compound 55)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-4-3-5-22(27-21)29-13-19-11-10-18(12-20(19)24(29)31)16-6-8-17(9-7-16)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
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n/an/a 5.40n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443140
PNG
(US10654833, Compound 39 | US10654833, Compound 67)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18(25(33)34)20(26)11-16/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 5.40n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443197
PNG
(US10654833, Compound 110)
Show SMILES O=C1N(Cc2ccc(cc12)-c1cccc(c1)-c1nn[nH]n1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H19N9O/c35-25-20-12-16(15-3-1-4-17(11-15)23-28-31-32-29-23)7-8-18(20)13-33(25)22-6-2-5-21(27-22)24-30-26-14-34(24)19-9-10-19/h1-8,11-12,14,19H,9-10,13H2,(H,28,29,31,32)
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n/an/a 5.44n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443180
PNG
(US10654833, Compound 92)
Show SMILES O=C1N(Cc2ccc(cc12)-c1ccc(cc1)-c1nn[nH]n1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H19N9O/c35-25-20-12-17(15-4-6-16(7-5-15)23-28-31-32-29-23)8-9-18(20)13-33(25)22-3-1-2-21(27-22)24-30-26-14-34(24)19-10-11-19/h1-9,12,14,19H,10-11,13H2,(H,28,29,31,32)
PDB

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n/an/a 5.52n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443163
PNG
(US10654833, Compound 75)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)21-5-4-6-23(28-21)30-13-18-8-7-16(11-20(18)25(30)32)17-9-10-19(26(33)34)22(12-17)35-3/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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n/an/a 5.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443133
PNG
(US10654833, Compound 9)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H23N5O3/c1-15(2)31-14-27-29-24(31)22-5-4-6-23(28-22)30-13-19-10-9-18(12-21(19)25(30)32)17-8-7-16(3)20(11-17)26(33)34/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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n/an/a 5.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443162
PNG
(US10654833, Compound 74)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C26H23N5O3/c1-15(2)31-14-27-29-24(31)22-5-4-6-23(28-22)30-13-19-8-7-17(12-21(19)25(30)32)20-10-9-18(26(33)34)11-16(20)3/h4-12,14-15H,13H2,1-3H3,(H,33,34)
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443145
PNG
(US10654833, Compound 57)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)18-9-8-16(25(33)34)11-20(18)26/h3-11,13-14H,12H2,1-2H3,(H,33,34)
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443134
PNG
(US10654833, Compound 11)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C26H23N5O3/c1-15(2)31-14-27-29-24(31)22-5-4-6-23(28-22)30-13-19-10-9-17(11-21(19)25(30)32)20-12-18(26(33)34)8-7-16(20)3/h4-12,14-15H,13H2,1-3H3,(H,33,34)
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443214
PNG
(US10654833, Compound 128)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H26N6O3/c1-15(2)30-14-25-27-22(30)20-4-3-5-21(26-20)29-13-17-6-7-18(12-19(17)23(29)31)28-10-8-16(9-11-28)24(32)33/h3-7,12,14-16H,8-11,13H2,1-2H3,(H,32,33)
PDB

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n/an/a 6.16n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443171
PNG
(US10654833, Compound 83)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(CO)c1
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)22-4-3-5-23(28-22)30-12-18-7-6-17(11-21(18)25(30)33)16-8-9-20(26(34)35)19(10-16)13-32/h3-11,14-15,32H,12-13H2,1-2H3,(H,34,35)
PDB

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n/an/a 6.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443187
PNG
(US10654833, Compound 99)
Show SMILES COC(=O)c1cccc(-c2ccc3CN(C(=O)c3c2)c2cccc(n2)-c2nncn2C(C)C)c1C
Show InChI InChI=1S/C27H25N5O3/c1-16(2)32-15-28-30-25(32)23-9-6-10-24(29-23)31-14-19-12-11-18(13-22(19)26(31)33)20-7-5-8-21(17(20)3)27(34)35-4/h5-13,15-16H,14H2,1-4H3
PDB

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n/an/a 6.37n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443198
PNG
(US10654833, Compound 111)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(ccc1F)-c1nn[nH]n1
Show InChI InChI=1S/C25H20FN9O/c1-14(2)35-13-27-31-24(35)21-4-3-5-22(28-21)34-12-17-7-6-15(10-19(17)25(34)36)18-11-16(8-9-20(18)26)23-29-32-33-30-23/h3-11,13-14H,12H2,1-2H3,(H,29,30,32,33)
PDB

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n/an/a 6.40n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443201
PNG
(US10654833, Compound 115)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(cc(C)n1)C(O)=O
Show InChI InChI=1S/C25H22N6O3/c1-14(2)31-13-26-29-23(31)20-5-4-6-22(28-20)30-12-17-8-7-16(10-19(17)24(30)32)21-11-18(25(33)34)9-15(3)27-21/h4-11,13-14H,12H2,1-3H3,(H,33,34)
PDB

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n/an/a 6.5n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443188
PNG
(US10654833, Compound 100)
Show SMILES COC(=O)c1ccc(F)c(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C26H22FN5O3/c1-15(2)32-14-28-30-24(32)22-5-4-6-23(29-22)31-13-18-8-7-16(11-20(18)25(31)33)19-12-17(26(34)35-3)9-10-21(19)27/h4-12,14-15H,13H2,1-3H3
PDB

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n/an/a 6.57n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443215
PNG
(US10654833, Compound 129)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H28N6O3/c1-16(2)31-15-26-28-24(31)21-4-3-5-22(27-21)30-14-18-6-7-19(13-20(18)25(30)34)29-10-8-17(9-11-29)12-23(32)33/h3-7,13,15-17H,8-12,14H2,1-2H3,(H,32,33)
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n/an/a 6.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443157
PNG
(US10654833, Compound 69)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1O)C(O)=O
Show InChI InChI=1S/C25H21N5O4/c1-14(2)30-13-26-28-23(30)20-4-3-5-22(27-20)29-12-17-7-6-15(10-19(17)24(29)32)18-9-8-16(25(33)34)11-21(18)31/h3-11,13-14,31H,12H2,1-2H3,(H,33,34)
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n/an/a 6.60n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443130
PNG
(US10654833, Compound 4)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(F)cc(c1)C(O)=O
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-16-7-6-15(11-20(16)24(30)32)17-8-18(25(33)34)10-19(26)9-17/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 6.70n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443150
PNG
(US10654833, Compound 62)
Show SMILES CCc1sc(cc1-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C)C(O)=O
Show InChI InChI=1S/C25H23N5O3S/c1-4-20-17(11-21(34-20)25(32)33)15-8-9-16-12-29(24(31)18(16)10-15)22-7-5-6-19(27-22)23-28-26-13-30(23)14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,32,33)
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n/an/a 6.80n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443182
PNG
(US10654833, Compound 94)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(C(O)=O)c1C
Show InChI InChI=1S/C26H23N5O3/c1-15(2)31-14-27-29-24(31)22-8-5-9-23(28-22)30-13-18-11-10-17(12-21(18)25(30)32)19-6-4-7-20(16(19)3)26(33)34/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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n/an/a 6.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443152
PNG
(US10654833, Compound 64)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C25H21N5O4/c1-14(2)30-13-26-28-23(30)20-4-3-5-22(27-20)29-12-17-7-6-15(10-18(17)24(29)32)16-8-9-21(31)19(11-16)25(33)34/h3-11,13-14,31H,12H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443211
PNG
(US10654833, Compound 125)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ncc2ccc(cc2n1)C(O)=O
Show InChI InChI=1S/C27H21N7O3/c1-15(2)34-14-29-32-25(34)21-4-3-5-23(30-21)33-13-19-9-6-16(10-20(19)26(33)35)24-28-12-18-8-7-17(27(36)37)11-22(18)31-24/h3-12,14-15H,13H2,1-2H3,(H,36,37)
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n/an/a 7n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443193
PNG
(US10654833, Compound 105)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(c1)C1(CC1)C(O)=O
Show InChI InChI=1S/C28H25N5O3/c1-17(2)33-16-29-31-25(33)23-7-4-8-24(30-23)32-15-20-10-9-19(14-22(20)26(32)34)18-5-3-6-21(13-18)28(11-12-28)27(35)36/h3-10,13-14,16-17H,11-12,15H2,1-2H3,(H,35,36)
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n/an/a 7.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443179
PNG
(US10654833, Compound 91)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)-c1nn[nH]n1
Show InChI InChI=1S/C25H21N9O/c1-15(2)34-14-26-30-24(34)21-4-3-5-22(27-21)33-13-19-11-10-18(12-20(19)25(33)35)16-6-8-17(9-7-16)23-28-31-32-29-23/h3-12,14-15H,13H2,1-2H3,(H,28,29,31,32)
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n/an/a 7.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443206
PNG
(US10654833, Compound 120)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(cc1)-n1ncc(C(O)=O)c1N
Show InChI InChI=1S/C28H24N8O3/c1-16(2)35-15-30-33-26(35)23-4-3-5-24(32-23)34-14-19-7-6-18(12-21(19)27(34)37)17-8-10-20(11-9-17)36-25(29)22(13-31-36)28(38)39/h3-13,15-16H,14,29H2,1-2H3,(H,38,39)
PDB

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n/an/a 8.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443164
PNG
(US10654833, Compound 76)
Show SMILES COc1cc(ccc1-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C)C(O)=O
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)21-5-4-6-23(28-21)30-13-18-8-7-16(11-20(18)25(30)32)19-10-9-17(26(33)34)12-22(19)35-3/h4-12,14-15H,13H2,1-3H3,(H,33,34)
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n/an/a 8.20n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443210
PNG
(US10654833, Compound 124)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccn2ncc(C(O)=O)c2n1
Show InChI InChI=1S/C25H20N8O3/c1-14(2)32-13-26-30-23(32)20-4-3-5-21(28-20)31-12-16-7-6-15(10-17(16)24(31)34)19-8-9-33-22(29-19)18(11-27-33)25(35)36/h3-11,13-14H,12H2,1-2H3,(H,35,36)
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n/an/a 8.30n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443194
PNG
(US10654833, Compound 106)
Show SMILES OC(=O)C1(CC1)c1cccc(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C28H23N5O3/c34-26-22-14-18(17-3-1-4-20(13-17)28(11-12-28)27(35)36)7-8-19(22)15-32(26)24-6-2-5-23(30-24)25-31-29-16-33(25)21-9-10-21/h1-8,13-14,16,21H,9-12,15H2,(H,35,36)
PDB

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n/an/a 8.40n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443154
PNG
(US10654833, Compound 66)
Show SMILES COc1cc(N)c(cc1C(O)=O)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C26H24N6O4/c1-14(2)32-13-28-30-24(32)21-5-4-6-23(29-21)31-12-16-8-7-15(9-18(16)25(31)33)17-10-19(26(34)35)22(36-3)11-20(17)27/h4-11,13-14H,12,27H2,1-3H3,(H,34,35)
PDB

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n/an/a 8.90n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443132
PNG
(US10654833, Compound 8)
Show SMILES COc1ccc(cc1-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C)C(O)=O
Show InChI InChI=1S/C26H23N5O4/c1-15(2)31-14-27-29-24(31)21-5-4-6-23(28-21)30-13-18-8-7-16(11-20(18)25(30)32)19-12-17(26(33)34)9-10-22(19)35-3/h4-12,14-15H,13H2,1-3H3,(H,33,34)
PDB

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n/an/a 10.7n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443138
PNG
(US10654833, Compound 28)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C24H26N6O3/c1-15(2)30-14-25-27-22(30)20-6-3-7-21(26-20)29-13-16-8-9-18(11-19(16)23(29)31)28-10-4-5-17(12-28)24(32)33/h3,6-9,11,14-15,17H,4-5,10,12-13H2,1-2H3,(H,32,33)
PDB

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n/an/a 11.2n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443156
PNG
(US10654833, Compound 68)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(N)cc(C(O)=O)c1C
Show InChI InChI=1S/C26H24N6O3/c1-14(2)32-13-28-30-24(32)22-5-4-6-23(29-22)31-12-17-8-7-16(9-21(17)25(31)33)19-10-18(27)11-20(15(19)3)26(34)35/h4-11,13-14H,12,27H2,1-3H3,(H,34,35)
PDB

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n/an/a 12.4n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443181
PNG
(US10654833, Compound 93)
Show SMILES OC(=O)c1ccc(F)c(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H18FN5O3/c26-20-9-6-15(25(33)34)11-18(20)14-4-5-16-12-30(24(32)19(16)10-14)22-3-1-2-21(28-22)23-29-27-13-31(23)17-7-8-17/h1-6,9-11,13,17H,7-8,12H2,(H,33,34)
PDB

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n/an/a 12.4n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443191
PNG
(US10654833, Compound 103)
Show SMILES CC(C)(C(O)=O)c1cccc(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C28H25N5O3/c1-28(2,27(35)36)20-6-3-5-17(13-20)18-9-10-19-15-32(26(34)22(19)14-18)24-8-4-7-23(30-24)25-31-29-16-33(25)21-11-12-21/h3-10,13-14,16,21H,11-12,15H2,1-2H3,(H,35,36)
PDB

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n/an/a 12.5n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443212
PNG
(US10654833, Compound 126)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)C1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C25H27N5O3/c1-15(2)30-14-26-28-23(30)21-4-3-5-22(27-21)29-13-19-11-10-18(12-20(19)24(29)31)16-6-8-17(9-7-16)25(32)33/h3-5,10-12,14-17H,6-9,13H2,1-2H3,(H,32,33)/t16?,17-
PDB

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n/an/a 13.4n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443161
PNG
(US10654833, Compound 73)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C26H23N5O3/c1-15(2)31-14-27-29-24(31)22-5-4-6-23(28-22)30-13-19-8-7-18(12-21(19)25(30)32)17-9-10-20(26(33)34)16(3)11-17/h4-12,14-15H,13H2,1-3H3,(H,33,34)
PDB

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n/an/a 14.3n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443213
PNG
(US10654833, Compound 127)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)[C@@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C25H27N5O3/c1-15(2)30-14-26-28-23(30)21-4-3-5-22(27-21)29-13-19-11-10-18(12-20(19)24(29)31)16-6-8-17(9-7-16)25(32)33/h3-5,10-12,14-17H,6-9,13H2,1-2H3,(H,32,33)/t16-,17+
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n/an/a 14.6n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443169
PNG
(US10654833, Compound 81)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
Show InChI InChI=1S/C26H23N5O3/c1-16(2)31-15-27-29-24(31)22-5-4-6-23(28-22)30-14-20-12-11-19(13-21(20)25(30)32)17-7-9-18(10-8-17)26(33)34-3/h4-13,15-16H,14H2,1-3H3
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n/an/a 14.9n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443136
PNG
(US10654833, Compound 14)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cc(ccc1C#N)C(O)=O
Show InChI InChI=1S/C26H20N6O3/c1-15(2)32-14-28-30-24(32)22-4-3-5-23(29-22)31-13-19-9-6-16(10-21(19)25(31)33)20-11-17(26(34)35)7-8-18(20)12-27/h3-11,14-15H,13H2,1-2H3,(H,34,35)
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n/an/a 15.6n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443216
PNG
(US10654833, Compound 130)
Show SMILES OC(=O)CC1CCN(CC1)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H26N6O3/c32-23(33)12-16-8-10-29(11-9-16)19-5-4-17-14-30(25(34)20(17)13-19)22-3-1-2-21(27-22)24-28-26-15-31(24)18-6-7-18/h1-5,13,15-16,18H,6-12,14H2,(H,32,33)
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n/an/a 19.2n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443217
PNG
(US10654833, Compound 131)
Show SMILES OC(=O)C1CCCN(C1)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C24H24N6O3/c31-23-19-11-18(28-10-2-3-16(12-28)24(32)33)7-6-15(19)13-29(23)21-5-1-4-20(26-21)22-27-25-14-30(22)17-8-9-17/h1,4-7,11,14,16-17H,2-3,8-10,12-13H2,(H,32,33)
PDB

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n/an/a 21.7n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443153
PNG
(US10654833, Compound 65)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C25H20ClN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-16-7-6-15(10-19(16)24(30)32)18-9-8-17(26)11-20(18)25(33)34/h3-11,13-14H,12H2,1-2H3,(H,33,34)
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n/an/a 34.4n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443144
PNG
(US10654833, Compound 56 | US10654833, Compound 70)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-8-5-9-22(27-21)29-13-17-11-10-16(12-20(17)24(29)31)18-6-3-4-7-19(18)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
PDB

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n/an/a 42.2n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443192
PNG
(US10654833, Compound 104)
Show SMILES COC(=O)C(C)(C)c1cccc(c1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C29H27N5O3/c1-29(2,28(36)37-3)21-7-4-6-18(14-21)19-10-11-20-16-33(27(35)23(20)15-19)25-9-5-8-24(31-25)26-32-30-17-34(26)22-12-13-22/h4-11,14-15,17,22H,12-13,16H2,1-3H3
PDB

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n/an/a 46.6n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443204
PNG
(US10654833, Compound 118)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1nc(C)cc(C(O)=O)c1C#N
Show InChI InChI=1S/C26H21N7O3/c1-14(2)33-13-28-31-24(33)21-5-4-6-22(30-21)32-12-17-8-7-16(10-18(17)25(32)34)23-20(11-27)19(26(35)36)9-15(3)29-23/h4-10,13-14H,12H2,1-3H3,(H,35,36)
PDB

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n/an/a 67.1n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443144
PNG
(US10654833, Compound 56 | US10654833, Compound 70)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-8-5-9-22(27-21)29-13-17-11-10-16(12-20(17)24(29)31)18-6-3-4-7-19(18)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
PDB

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n/an/a 160n/an/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, ...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443140
PNG
(US10654833, Compound 39 | US10654833, Compound 67)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C25H20FN5O3/c1-14(2)31-13-27-29-23(31)21-4-3-5-22(28-21)30-12-17-7-6-15(10-19(17)24(30)32)16-8-9-18(25(33)34)20(26)11-16/h3-11,13-14H,12H2,1-2H3,(H,33,34)
PDB

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n/an/an/a 0.860n/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Compound binding to the ASK1 kinase active site was determined using the KINOMEscan Assay platform (DiscoverX, San Diego, Calif.). Briefly, ASK1-tagg...


US Patent US10654833 (2020)

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


(Homo sapiens (Human))
BDBM443127
PNG
(US10654833, Compound 1)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(cc2C1=O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21N5O3/c1-15(2)30-14-26-28-23(30)21-7-4-8-22(27-21)29-13-19-10-9-17(12-20(19)24(29)31)16-5-3-6-18(11-16)25(32)33/h3-12,14-15H,13H2,1-2H3,(H,32,33)
PDB

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n/an/an/a 0.75n/an/an/an/an/a



Hepatikos Therapeutics, LLC

US Patent


Assay Description
Compound binding to the ASK1 kinase active site was determined using the KINOMEscan Assay platform (DiscoverX, San Diego, Calif.). Briefly, ASK1-tagg...


US Patent US10654833 (2020)

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