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Found 317 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50431322
PNG
(CHEMBL2346710)
Show SMILES CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O
Show InChI InChI=1S/C17H11Cl2NO4S2/c1-8(16(22)23)20-15(21)14(26-17(20)25)7-10-3-5-13(24-10)9-2-4-11(18)12(19)6-9/h2-8H,1H3,(H,22,23)/b14-7-
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PubMed
340n/an/an/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Competitive inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by Lineweaver-Burk plo...


Eur J Med Chem 61: 104-15 (2013)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM32315
PNG
(CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)
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500n/an/an/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Competitive inhibition of human ASK1 by Lineweaver-Burk plot analysis


J Med Chem 54: 2680-6 (2011)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162322
PNG
(US9051313, 13)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C25H26F3N9OS/c1-15(25(26,27)28)37-14-31-34-22(37)24-33-21(12-39-24)32-23(38)17-9-19(36-11-18(30-13-36)16-5-6-16)20(10-29-17)35-7-3-2-4-8-35/h9-16H,2-8H2,1H3,(H,32,38)/t15-/s2
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162310
PNG
(US9051313, 1)
Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCOCC1)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H25N9O2S/c34-23(28-21-12-36-24(29-21)22-30-27-14-33(22)16-3-4-16)17-9-19(32-11-18(26-13-32)15-1-2-15)20(10-25-17)31-5-7-35-8-6-31/h9-16H,1-8H2,(H,28,34)
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n/an/a 1.44n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162311
PNG
(US9051313, 2)
Show SMILES CC1(O)CN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C24H25N9O2S/c1-24(35)10-32(11-24)19-7-25-16(6-18(19)31-8-17(26-12-31)14-2-3-14)22(34)28-20-9-36-23(29-20)21-30-27-13-33(21)15-4-5-15/h6-9,12-15,35H,2-5,10-11H2,1H3,(H,28,34)
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US Patent
n/an/a 1.58n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162313
PNG
(US9051313, 4)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-20(36)22-32-19(8-39-22)31-21(37)15-5-17(34-7-16(29-11-34)14-3-4-14)18(6-28-15)35-9-23(2,38)10-35/h5-8,11-14,38H,3-4,9-10H2,1-2H3,(H,31,37)/t13-/s2
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n/an/a 1.69n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162316
PNG
(US9051313, 7)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C23H22F3N9OS/c1-13(23(24,25)26)35-12-29-32-20(35)22-31-19(10-37-22)30-21(36)15-7-17(18(8-27-15)33-5-2-6-33)34-9-16(28-11-34)14-3-4-14/h7-14H,2-6H2,1H3,(H,30,36)/t13-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162323
PNG
(US9051313, 14)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(C)(O)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C26H28F3N9O2S/c1-15(26(27,28)29)38-14-32-35-22(38)24-34-21(12-41-24)33-23(39)17-9-19(37-11-18(31-13-37)16-3-4-16)20(10-30-17)36-7-5-25(2,40)6-8-36/h9-16,40H,3-8H2,1-2H3,(H,33,39)/t15-/s2
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n/an/a 1.80n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162314
PNG
(US9051313, 5)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)/t12-/s2
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n/an/a 1.88n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162318
PNG
(US9051313, 9)
Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCC1)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H25N9OS/c34-23(28-21-12-35-24(29-21)22-30-27-14-33(22)16-5-6-16)17-9-19(20(10-25-17)31-7-1-2-8-31)32-11-18(26-13-32)15-3-4-15/h9-16H,1-8H2,(H,28,34)
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128406
PNG
(US8802695, 22)
Show SMILES C[C@](O)(CO)c1ccc(cc1)C(=O)Nc1cc2n(cc(Br)c2cn1)C1CC1
Show InChI InChI=1S/C20H20BrN3O3/c1-20(27,11-25)13-4-2-12(3-5-13)19(26)23-18-8-17-15(9-22-18)16(21)10-24(17)14-6-7-14/h2-5,8-10,14,25,27H,6-7,11H2,1H3,(H,22,23,26)/t20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162321
PNG
(US9051313, 12)
Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C25H27N9OS/c35-24(29-22-13-36-25(30-22)23-31-28-15-34(23)17-6-7-17)18-10-20(33-12-19(27-14-33)16-4-5-16)21(11-26-18)32-8-2-1-3-9-32/h10-17H,1-9H2,(H,29,35)
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n/an/a 2n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128404
PNG
(US8802695, 20)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20BrN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162325
PNG
(US9051313, 16)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCN(C)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C25H27F3N10OS/c1-15(25(26,27)28)38-14-31-34-22(38)24-33-21(12-40-24)32-23(39)17-9-19(37-11-18(30-13-37)16-3-4-16)20(10-29-17)36-7-5-35(2)6-8-36/h9-16H,3-8H2,1-2H3,(H,32,39)/t15-/s2
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US Patent
n/an/a 2.10n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162320
PNG
(US9051313, 11)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-21(36)23-32-20(10-39-23)31-22(38)16-6-18(35-9-17(29-11-35)14-2-3-14)19(7-28-16)34-5-4-15(37)8-34/h6-7,9-15,37H,2-5,8H2,1H3,(H,31,38)/t13-,15?/s2
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n/an/a 2.20n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162317
PNG
(US9051313, 8)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C24H24F3N9OS/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-38-23)31-22(37)16-8-18(19(9-28-16)34-6-2-3-7-34)35-10-17(29-12-35)15-4-5-15/h8-15H,2-7H2,1H3,(H,31,37)/t14-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162315
PNG
(US9051313, 6)
Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCC1)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H23N9OS/c33-22(27-20-11-34-23(28-20)21-29-26-13-32(21)15-4-5-15)16-8-18(19(9-24-16)30-6-1-7-30)31-10-17(25-12-31)14-2-3-14/h8-15H,1-7H2,(H,27,33)
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n/an/a 2.40n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162324
PNG
(US9051313, 15)
Show SMILES CC1(O)CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C26H29N9O2S/c1-26(37)6-8-33(9-7-26)21-11-27-18(10-20(21)34-12-19(28-14-34)16-2-3-16)24(36)30-22-13-38-25(31-22)23-32-29-15-35(23)17-4-5-17/h10-17,37H,2-9H2,1H3,(H,30,36)
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US Patent
n/an/a 2.5n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162312
PNG
(US9051313, 3)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1/C24H24F3N9O2S/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-39-23)31-22(37)16-8-18(35-10-17(29-12-35)15-2-3-15)19(9-28-16)34-4-6-38-7-5-34/h8-15H,2-7H2,1H3,(H,31,37)/t14-/s2
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n/an/a 2.62n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162319
PNG
(US9051313, 10)
Show SMILES OC1CCN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1/C24H25N9O2S/c34-16-5-6-31(9-16)20-8-25-17(7-19(20)32-10-18(26-12-32)14-1-2-14)23(35)28-21-11-36-24(29-21)22-30-27-13-33(22)15-3-4-15/h7-8,10-16,34H,1-6,9H2,(H,28,35)
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n/an/a 3n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128394
PNG
(US8802695, 10)
Show SMILES CC(C)(O)c1ccc(cc1)C(=O)Nc1cc2n(CC3CC3)cc(Br)c2cn1
Show InChI InChI=1S/C21H22BrN3O2/c1-21(2,27)15-7-5-14(6-8-15)20(26)24-19-9-18-16(10-23-19)17(22)12-25(18)11-13-3-4-13/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,26)
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128395
PNG
(US8802695, 11)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C19H20BrN3O2/c1-4-23-11-15(20)14-10-21-17(9-16(14)23)22-18(24)12-5-7-13(8-6-12)19(2,3)25/h5-11,25H,4H2,1-3H3,(H,21,22,24)
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM162326
PNG
(US9051313, 17)
Show SMILES CN1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H28N10OS/c1-32-6-8-33(9-7-32)21-11-26-18(10-20(21)34-12-19(27-14-34)16-2-3-16)24(36)29-22-13-37-25(30-22)23-31-28-15-35(23)17-4-5-17/h10-17H,2-9H2,1H3,(H,29,36)
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n/an/a 3.10n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128407
PNG
(US8802695, 23)
Show SMILES C[C@](O)(CO)c1ccc(cc1)C(=O)Nc1cc2n(cc(Cl)c2cn1)C1CC1
Show InChI InChI=1S/C20H20ClN3O3/c1-20(27,11-25)13-4-2-12(3-5-13)19(26)23-18-8-17-15(9-22-18)16(21)10-24(17)14-6-7-14/h2-5,8-10,14,25,27H,6-7,11H2,1H3,(H,22,23,26)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128399
PNG
(US8802695, 15)
Show SMILES Cn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C18H18BrN3O2/c1-18(2,24)12-6-4-11(5-7-12)17(23)21-16-8-15-13(9-20-16)14(19)10-22(15)3/h4-10,24H,1-3H3,(H,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128407
PNG
(US8802695, 23)
Show SMILES C[C@](O)(CO)c1ccc(cc1)C(=O)Nc1cc2n(cc(Cl)c2cn1)C1CC1
Show InChI InChI=1S/C20H20ClN3O3/c1-20(27,11-25)13-4-2-12(3-5-13)19(26)23-18-8-17-15(9-22-18)16(21)10-24(17)14-6-7-14/h2-5,8-10,14,25,27H,6-7,11H2,1H3,(H,22,23,26)/t20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128398
PNG
(US8802695, 14)
Show SMILES CCn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20ClN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM139540
PNG
(US8889696, Staurosporine | US9051313, Staurosporin...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/s2
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n/an/a 6.30n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


US Patent US9051313 (2015)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50023730
PNG
(CHEMBL3330167)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)17-7-4-14(5-8-17)20(27)25-18-13-26-12-15(6-9-19(26)24-18)16-10-22-23-11-16/h4-13H,1-3H3,(H,22,23)(H,25,27)
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n/an/a 6.30n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin)


Bioorg Med Chem Lett 24: 4418-23 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128406
PNG
(US8802695, 22)
Show SMILES C[C@](O)(CO)c1ccc(cc1)C(=O)Nc1cc2n(cc(Br)c2cn1)C1CC1
Show InChI InChI=1S/C20H20BrN3O3/c1-20(27,11-25)13-4-2-12(3-5-13)19(26)23-18-8-17-15(9-22-18)16(21)10-24(17)14-6-7-14/h2-5,8-10,14,25,27H,6-7,11H2,1H3,(H,22,23,26)/t20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128396
PNG
(US8802695, 12)
Show SMILES CCn1cc(C)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C20H23N3O2/c1-5-23-12-13(2)16-11-21-18(10-17(16)23)22-19(24)14-6-8-15(9-7-14)20(3,4)25/h6-12,25H,5H2,1-4H3,(H,21,22,24)
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128400
PNG
(US8802695, 16)
Show SMILES Cn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C18H18BrN3O3/c1-18(25,10-23)12-5-3-11(4-6-12)17(24)21-16-7-15-13(8-20-16)14(19)9-22(15)2/h3-9,23,25H,10H2,1-2H3,(H,20,21,24)/t18-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50023729
PNG
(CHEMBL3330168)
Show SMILES NC[C@H](Oc1cnc(-c2ccoc2)c(c1)-c1c[nH]c2ncccc12)c1ccccc1
Show InChI InChI=1/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/t22-/s2
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n/an/a 7.90n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin)


Bioorg Med Chem Lett 24: 4418-23 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128395
PNG
(US8802695, 11)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C19H20BrN3O2/c1-4-23-11-15(20)14-10-21-17(9-16(14)23)22-18(24)12-5-7-13(8-6-12)19(2,3)25/h5-11,25H,4H2,1-3H3,(H,21,22,24)
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n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128410
PNG
(US8802695, 26)
Show SMILES CCn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)[C@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20ClN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128399
PNG
(US8802695, 15)
Show SMILES Cn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C18H18BrN3O2/c1-18(2,24)12-6-4-11(5-7-12)17(23)21-16-8-15-13(9-20-16)14(19)10-22(15)3/h4-10,24H,1-3H3,(H,20,21,23)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128404
PNG
(US8802695, 20)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20BrN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128408
PNG
(US8802695, 24)
Show SMILES Cn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C18H18ClN3O2/c1-18(2,24)12-6-4-11(5-7-12)17(23)21-16-8-15-13(9-20-16)14(19)10-22(15)3/h4-10,24H,1-3H3,(H,20,21,23)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128410
PNG
(US8802695, 26)
Show SMILES CCn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)[C@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20ClN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128402
PNG
(US8802695, 18)
Show SMILES CCn1cc(C)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C20H23N3O3/c1-4-23-11-13(2)16-10-21-18(9-17(16)23)22-19(25)14-5-7-15(8-6-14)20(3,26)12-24/h5-11,24,26H,4,12H2,1-3H3,(H,21,22,25)/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334269
PNG
(4-tert-butyl-N-(imidazo[1,2-a]quinolin-2-yl)benzam...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2c(ccc3ccccc23)n1
Show InChI InChI=1S/C22H21N3O/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-19-14-25-18-7-5-4-6-15(18)10-13-20(25)23-19/h4-14H,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50402931
PNG
(CHEMBL2205628)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128398
PNG
(US8802695, 14)
Show SMILES CCn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20ClN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128412
PNG
(US8802695, 28)
Show SMILES CC(C)(CO)c1ccc(cc1)C(=O)Nc1cc2n(cc(Cl)c2cn1)C1CC1
Show InChI InChI=1S/C21H22ClN3O2/c1-21(2,12-26)14-5-3-13(4-6-14)20(27)24-19-9-18-16(10-23-19)17(22)11-25(18)15-7-8-15/h3-6,9-11,15,26H,7-8,12H2,1-2H3,(H,23,24,27)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128402
PNG
(US8802695, 18)
Show SMILES CCn1cc(C)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C20H23N3O3/c1-4-23-11-13(2)16-10-21-18(9-17(16)23)22-19(25)14-5-7-15(8-6-14)20(3,26)12-24/h5-11,24,26H,4,12H2,1-3H3,(H,21,22,25)/t20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128408
PNG
(US8802695, 24)
Show SMILES Cn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)C(C)(C)O)cc12
Show InChI InChI=1S/C18H18ClN3O2/c1-18(2,24)12-6-4-11(5-7-12)17(23)21-16-8-15-13(9-20-16)14(19)10-22(15)3/h4-10,24H,1-3H3,(H,20,21,23)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334270
PNG
(2-methyl-2-(4-(6-(thiophen-3-yl)imidazo[1,2-a]pyri...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccsc1
Show InChI InChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128414
PNG
(US8802695, 31)
Show SMILES Cn1cc(Cl)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C18H18ClN3O3/c1-18(25,10-23)12-5-3-11(4-6-12)17(24)21-16-7-15-13(8-20-16)14(19)9-22(15)2/h3-9,23,25H,10H2,1-2H3,(H,20,21,24)/t18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)

More data for this
Ligand-Target Pair
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