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Compile Data Set for Download or QSAR

Found 300 hits Enz. Inhib. hit(s) with all data for entry = 50013198   
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
Homeodomain-interacting protein kinase 2


(Homo sapiens (Human))
BDBM50563555
PNG
(CHEMBL4750420)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
PDB

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


TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 3


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/a 7.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDKL3 (unknown origin) by NanoBRET cellular target engagement assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50560704
PNG
(CHEMBL4754195)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
PDB
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9


(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 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MLK1 (unknown origin) by NanoBRET cellular target engagement assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50560704
PNG
(CHEMBL4754195)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
PDB
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50563539
PNG
(CHEMBL4762964)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1
PDB
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563539
PNG
(CHEMBL4762964)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1
PDB
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563556
PNG
(CHEMBL4743939)
Show SMILES COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


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 1


(Homo sapiens (Human))
BDBM50563555
PNG
(CHEMBL4750420)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563539
PNG
(CHEMBL4762964)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563538
PNG
(CHEMBL4797457)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
PDB

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TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50563537
PNG
(CHEMBL4789951)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cn[nH]c3)c2n1
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563538
PNG
(CHEMBL4797457)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
PDB
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50563538
PNG
(CHEMBL4797457)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
PDB
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563537
PNG
(CHEMBL4789951)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cn[nH]c3)c2n1
PDB
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50560704
PNG
(CHEMBL4754195)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
PDB

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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563555
PNG
(CHEMBL4750420)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563557
PNG
(CHEMBL4790791)
Show SMILES Cn1cc(cn1)-c1coc2ccc(nc12)-c1cn[nH]c1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50560704
PNG
(CHEMBL4754195)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563539
PNG
(CHEMBL4762964)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563555
PNG
(CHEMBL4750420)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
PDB
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TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


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 1


(Homo sapiens (Human))
BDBM50563556
PNG
(CHEMBL4743939)
Show SMILES COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563537
PNG
(CHEMBL4789951)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cn[nH]c3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


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 3


(Homo sapiens (Human))
BDBM50563555
PNG
(CHEMBL4750420)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1
PDB

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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563556
PNG
(CHEMBL4743939)
Show SMILES COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(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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TBA

Assay Description
Inhibition of MLK3 (unknown origin) by NanoBRET cellular target engagement assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563554
PNG
(CHEMBL4790030)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1
PDB
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TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563554
PNG
(CHEMBL4790030)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563557
PNG
(CHEMBL4790791)
Show SMILES Cn1cc(cn1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB
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TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563556
PNG
(CHEMBL4743939)
Show SMILES COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


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 1


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50563535
PNG
(CHEMBL4791451)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)C3CCNCC3)c2n1
PDB
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TBA

Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50563535
PNG
(CHEMBL4791451)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)C3CCNCC3)c2n1
PDB
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


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 1


(Homo sapiens (Human))
BDBM50563554
PNG
(CHEMBL4790030)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay


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 3


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scintillation assay


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 3


(Homo sapiens (Human))
BDBM50563556
PNG
(CHEMBL4743939)
Show SMILES COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50563541
PNG
(CHEMBL4743730)
Show SMILES CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB
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n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563540
PNG
(CHEMBL4740998)
Show SMILES CC1(CC1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563538
PNG
(CHEMBL4797457)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1
PDB

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TBA

Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563554
PNG
(CHEMBL4790030)
Show SMILES c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1
PDB

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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


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 2


(Homo sapiens (Human))
BDBM50563559
PNG
(CHEMBL4587433)
Show SMILES O=C1NC(=O)\C(S1)=C/c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1
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n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIPK2 (unknown origin) by selectscreen kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113299
BindingDB Entry DOI: 10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50563535
PNG
(CHEMBL4791451)
Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)C3CCNCC3)c2n1
PDB

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TBA

Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay


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))
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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n/an/a 100n/an/an/an/an/an/a


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 1


(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 HIPK1 (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 1


(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 HIPK1 (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 1


(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 HIPK1 (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
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