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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50025104   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 400n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIdelta


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIdelta


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 7.60E+4n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 1.66E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK1


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 3.85E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK1


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 4.04E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair