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Compile Data Set for Download or QSAR

Found 482 hits Enz. Inhib. hit(s) with Target = 'Dual specificty protein kinase CLK1'   
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
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM81374
PNG
(BODIPY-labeled probe, 4a)
Show SMILES Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12
Show InChI InChI=1S/C50H49BF5N11O4/c1-31-12-13-37(62-48(70)34-8-6-9-35(27-34)50(52,53)54)28-42(31)64-46-41(10-7-23-59-46)47-60-30-61-49(65-47)63-36-14-19-40(20-15-36)71-25-24-58-44(68)11-4-5-22-57-45(69)21-18-38-16-17-39-29-43-32(2)26-33(3)66(43)51(55,56)67(38)39/h6-10,12-17,19-20,23,26-30H,4-5,11,18,21-22,24-25H2,1-3H3,(H,57,69)(H,58,68)(H,59,64)(H,62,70)(H,60,61,63,65)/q+1
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n/an/an/a>1.00E+3n/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM81375
PNG
(Amine compound, 12a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Show InChI InChI=1S/C41H46F3N9O7/c1-28-7-8-32(50-39(55)29-4-2-5-30(24-29)41(42,43)44)25-35(28)52-37-34(6-3-14-47-37)38-48-27-49-40(53-38)51-31-9-11-33(12-10-31)60-17-15-46-36(54)26-59-23-22-58-21-20-57-19-18-56-16-13-45/h2-12,14,24-25,27H,13,15-23,26,45H2,1H3,(H,46,54)(H,47,52)(H,50,55)(H,48,49,51,53)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM81376
PNG
(Amine compound, 13a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
Show InChI InChI=1S/C42H47F3N8O7/c1-29-7-8-33(52-41(55)30-4-2-5-31(24-30)42(43,44)45)25-36(29)53-40-35(6-3-14-48-40)37-26-38(50-28-49-37)51-32-9-11-34(12-10-32)60-17-15-47-39(54)27-59-23-22-58-21-20-57-19-18-56-16-13-46/h2-12,14,24-26,28H,13,15-23,27,46H2,1H3,(H,47,54)(H,48,53)(H,52,55)(H,49,50,51)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CLK1


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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n/an/a 508n/an/an/an/an/an/a



George Washington University



Assay Description
The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.


Nat Chem Biol 10: 853-860 (2014)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q28G8JCH
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM181049
PNG
(NR9)
Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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n/an/a 390n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM181050
PNG
(3A5)
Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
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n/an/a 51n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM181051
PNG
(5E4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
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n/an/a 277n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
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n/an/a 273n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50021615
PNG
(CHEMBL3297830)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12
Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


Citation and Details

Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


Citation and Details

Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


Citation and Details

Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50021614
PNG
(CHEMBL3297831)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12
Show InChI InChI=1S/C21H17NO4/c1-21(2)9-7-12-17-15(20-13(8-10-25-20)19(12)26-21)18(24)11-5-4-6-14(23)16(11)22(17)3/h4-10,23H,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


Citation and Details

Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(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
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/an/a 27n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CLK1; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 350n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CLK1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 9.60n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CLK1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 350n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(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
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/an/a 32n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 9.60n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a 8.80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 35n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CLK1


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026599
PNG
(CHEMBL3335350)
Show SMILES Oc1cccc(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H10O3S/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,16-17H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026600
PNG
(CHEMBL3335351)
Show SMILES Oc1cccc(c1)C(=O)c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,16-17H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026601
PNG
(CHEMBL3335352)
Show SMILES Oc1cccc(c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C15H11NO3/c17-11-3-1-2-9(6-11)15(19)14-8-10-7-12(18)4-5-13(10)16-14/h1-8,16-18H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026602
PNG
(CHEMBL3335353)
Show SMILES Cn1c(cc2cc(O)ccc12)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H13NO3/c1-17-14-6-5-13(19)8-11(14)9-15(17)16(20)10-3-2-4-12(18)7-10/h2-9,18-19H,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026605
PNG
(CHEMBL3335354)
Show SMILES Oc1ccc(cc1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H10O3S/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,16-17H
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n/an/a 300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026606
PNG
(CHEMBL3335355)
Show SMILES Oc1ccc(cc1)C(=O)c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,16-17H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026608
PNG
(CHEMBL3335358)
Show SMILES Oc1ccc(F)c(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H9FO3S/c16-12-3-1-10(18)7-11(12)15(19)14-6-8-5-9(17)2-4-13(8)20-14/h1-7,17-18H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026609
PNG
(CHEMBL3335359)
Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C15H9FO3S/c16-11-3-1-8(6-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,17-18H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026610
PNG
(CHEMBL3335360)
Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C16H9NO2S/c17-9-10-2-1-3-11(6-10)16(19)15-8-12-7-13(18)4-5-14(12)20-15/h1-8,18H
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n/an/a 400n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026611
PNG
(CHEMBL3335361)
Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10O2S/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026620
PNG
(CHEMBL3335363)
Show SMILES CC(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C10H8O2S/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-5,12H,1H3
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026621
PNG
(CHEMBL3335365)
Show SMILES CON(C)C(=O)c1cc2cc(OC)ccc2s1
Show InChI InChI=1S/C12H13NO3S/c1-13(16-3)12(14)11-7-8-6-9(15-2)4-5-10(8)17-11/h4-7H,1-3H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026623
PNG
(CHEMBL3335366)
Show SMILES Oc1cccc(c1)C(=O)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C17H12O3/c18-15-3-1-2-13(10-15)17(20)14-5-4-12-9-16(19)7-6-11(12)8-14/h1-10,18-19H
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n/an/a 1.90E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(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
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/an/a 32n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CLK1


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070504
PNG
(CHEMBL3408810)
Show SMILES Nc1ncnc2c3ccc(nc3sc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H8Cl2N4S/c16-7-1-2-8(10(17)5-7)11-4-3-9-12-13(22-15(9)21-11)14(18)20-6-19-12/h1-6H,(H2,18,19,20)
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UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070505
PNG
(CHEMBL3408809)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1cncnc1
Show InChI InChI=1S/C13H8N6S/c14-12-11-10(18-6-19-12)9-1-7(4-17-13(9)20-11)8-2-15-5-16-3-8/h1-6H,(H2,14,18,19)
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UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070506
PNG
(CHEMBL3408808)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1cccs1
Show InChI InChI=1S/C13H8N4S2/c14-12-11-10(16-6-17-12)8-4-7(5-15-13(8)19-11)9-2-1-3-18-9/h1-6H,(H2,14,16,17)
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UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070507
PNG
(CHEMBL3408807)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H10N4O2S/c17-15-14-13(19-6-20-15)10-3-9(5-18-16(10)23-14)8-1-2-11-12(4-8)22-7-21-11/h1-6H,7H2,(H2,17,19,20)
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n/an/a 520n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070508
PNG
(CHEMBL3408806)
Show SMILES Nc1ncnc2c1sc1ncc(cc21)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H9N5O2S/c16-14-13-12(18-7-19-14)11-5-9(6-17-15(11)23-13)8-1-3-10(4-2-8)20(21)22/h1-7H,(H2,16,18,19)
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n/an/a 500n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070527
PNG
(CHEMBL3408805)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H9BrN4S/c16-10-3-1-8(2-4-10)9-5-11-12-13(14(17)20-7-19-12)21-15(11)18-6-9/h1-7H,(H2,17,19,20)
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n/an/a 910n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070528
PNG
(CHEMBL3408804)
Show SMILES COc1ccc(c(F)c1)-c1cnc2sc3c(N)ncnc3c2c1
Show InChI InChI=1S/C16H11FN4OS/c1-22-9-2-3-10(12(17)5-9)8-4-11-13-14(15(18)21-7-20-13)23-16(11)19-6-8/h2-7H,1H3,(H2,18,20,21)
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n/an/a 71n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070529
PNG
(CHEMBL3408803)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C15H8ClFN4S/c16-11-4-8(17)1-2-9(11)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)
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n/an/a 190n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070547
PNG
(CHEMBL3408802)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H8ClFN4S/c16-8-1-2-9(11(17)4-8)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)
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n/an/a 110n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070553
PNG
(CHEMBL3408801)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(F)cc1F
Show InChI InChI=1S/C15H8F2N4S/c16-8-1-2-9(11(17)4-8)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)
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n/an/a 130n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070559
PNG
(CHEMBL3408800)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3N4S/c17-16(18,19)10-3-1-8(2-4-10)9-5-11-12-13(14(20)23-7-22-12)24-15(11)21-6-9/h1-7H,(H2,20,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070560
PNG
(CHEMBL3408799)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H8Cl2N4S/c16-8-1-2-9(11(17)4-8)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)
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n/an/a 88n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50070561
PNG
(CHEMBL3408798)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl2N4S/c16-10-2-1-7(4-11(10)17)8-3-9-12-13(14(18)21-6-20-12)22-15(9)19-5-8/h1-6H,(H2,18,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins


Eur J Med Chem 92: 124-34 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.038
BindingDB Entry DOI: 10.7270/Q2BR8TVG
More data for this
Ligand-Target Pair
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