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Compile Data Set for Download or QSAR

Found 18 hits of ic50 for UniProtKB: Q8NE63   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50172243
PNG
(CHEMBL3103192)
Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Hipk4 (unknown origin) by quantitative PCR


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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TBA

Assay Description
Inhibition of HIPK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50242737
PNG
((R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimet...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Show InChI InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1
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TBA

Assay Description
Inhibition of HIPK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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TBA

Assay Description
Inhibition of HIPK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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TBA

Assay Description
Inhibition of HIPK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 127n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HIPK4 using RRRFRPASPLRGPPK as substrate after 40 mins by [gamma-33ATP] radiometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 138n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HIPK4 using MBP as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human N-terminal GST-tagged HIPK4 expressed in baculovirus expression system by Z'-LYTE assay


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 314n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human HIPK4 using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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US Patent
n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)


BindingDB Entry DOI: 10.7270/Q2QZ2F2T
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM311261
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r|
Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)10-20(3,23)11-29-15-6-5-14(25-17(15)18(21)22)13-7-8-24-16(9-13)26-19(27)28-4/h5-9,12,18H,10-11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM311210
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r|
Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)10-19(3,21)11-27-15-6-5-14(23-17(15)20)13-7-8-22-16(9-13)24-18(25)26-4/h5-9,12H,10-11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50604141
PNG
(CHEMBL5188433)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50604138
PNG
(CHEMBL5184381)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human HIPK4 using MBP as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length HIPK4 using RRRFRPASPLRGP as substrate after 40 mins by [gamma-33ATP] radiometric assay


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50499634
PNG
(CHEMBL3741589)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
Show InChI InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of HIPK4 (unknown origin)


J Med Chem 58: 9154-70 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00928
BindingDB Entry DOI: 10.7270/Q2PZ5CV4
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged HIPK4 expressed in baculovirus expression system using serine/threonine-18 peptide ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair