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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'zheng' and Initial = 'k'   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032821
PNG
(CHEMBL3355178)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Show InChI InChI=1/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089225
PNG
(CHEMBL3577877)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
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n/an/a 7n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089225
PNG
(CHEMBL3577877)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
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n/an/a 11n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089225
PNG
(CHEMBL3577877)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
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n/an/a 12n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089233
PNG
(CHEMBL3577868)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-
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n/an/a 15n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
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n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
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n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
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n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072671
PNG
(CHEMBL3410055)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClFN6O/c1-15-16(2)30-24-22(15)23(28-14-29-24)17-5-10-21(20(27)13-17)31-25(34)33(12-11-32(3)4)19-8-6-18(26)7-9-19/h5-10,13-14H,11-12H2,1-4H3,(H,31,34)(H,28,29,30)
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n/an/a 19n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072728
PNG
(CHEMBL3410052)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN6O/c1-16-14-26-23-21(16)22(27-15-28-23)17-4-8-19(9-5-17)29-24(32)31(13-12-30(2)3)20-10-6-18(25)7-11-20/h4-11,14-15H,12-13H2,1-3H3,(H,29,32)(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072670
PNG
(CHEMBL3410053)
Show SMILES Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
Show InChI InChI=1S/C23H21ClFN5O2/c1-13-14(2)28-22-20(13)21(26-12-27-22)15-3-8-19(18(25)11-15)29-23(32)30(9-10-31)17-6-4-16(24)5-7-17/h3-8,11-12,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032819
PNG
(CHEMBL3355175)
Show SMILES CCN(CC)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C26H29ClN8O2/c1-3-33(4-2)12-13-34-17-20(15-28-34)30-25(36)19-8-7-9-22(14-19)35-18-21(16-29-35)31-26(37)32-24-11-6-5-10-23(24)27/h5-11,14-18H,3-4,12-13H2,1-2H3,(H,30,36)(H2,31,32,37)
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n/an/a 21n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072730
PNG
(CHEMBL3410050)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)cc3)c12
Show InChI InChI=1S/C22H21ClN6O/c1-14-12-25-21-19(14)20(26-13-27-21)15-2-6-17(7-3-15)28-22(30)29(11-10-24)18-8-4-16(23)5-9-18/h2-9,12-13H,10-11,24H2,1H3,(H,28,30)(H,25,26,27)
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n/an/a 21n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072727
PNG
(CHEMBL3410054)
Show SMILES Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)c(F)c3)c2c1C
Show InChI InChI=1S/C23H22ClFN6O/c1-13-14(2)29-22-20(13)21(27-12-28-22)15-3-8-19(18(25)11-15)30-23(32)31(10-9-26)17-6-4-16(24)5-7-17/h3-8,11-12H,9-10,26H2,1-2H3,(H,30,32)(H,27,28,29)
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n/an/a 21n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089233
PNG
(CHEMBL3577868)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-
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n/an/a 21n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032820
PNG
(CHEMBL3355176)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(CCN2CCCC2)c1
Show InChI InChI=1S/C26H27ClN8O2/c27-23-8-1-2-9-24(23)32-26(37)31-21-16-29-35(18-21)22-7-5-6-19(14-22)25(36)30-20-15-28-34(17-20)13-12-33-10-3-4-11-33/h1-2,5-9,14-18H,3-4,10-13H2,(H,30,36)(H2,31,32,37)
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n/an/a 23n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089234
PNG
(CHEMBL3577867)
Show SMILES CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15-
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n/an/a 23n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032749
PNG
(CHEMBL3355177)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H25ClN8O2/c26-22-6-1-2-7-23(22)32-25(36)31-19-14-29-34(16-19)21-5-3-4-17(12-21)24(35)30-18-13-28-33(15-18)20-8-10-27-11-9-20/h1-7,12-16,20,27H,8-11H2,(H,30,35)(H2,31,32,36)
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n/an/a 23n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50032749
PNG
(CHEMBL3355177)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H25ClN8O2/c26-22-6-1-2-7-23(22)32-25(36)31-19-14-29-34(16-19)21-5-3-4-17(12-21)24(35)30-18-13-28-33(15-18)20-8-10-27-11-9-20/h1-7,12-16,20,27H,8-11H2,(H,30,35)(H2,31,32,36)
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n/an/a 25n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072667
PNG
(CHEMBL3410042)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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n/an/a 25n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089234
PNG
(CHEMBL3577867)
Show SMILES CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15-
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n/an/a 26n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072731
PNG
(CHEMBL3410049)
Show SMILES COc1ccc(cc1)N(CCN)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H24N6O2/c1-15-13-25-22-20(15)21(26-14-27-22)16-3-5-17(6-4-16)28-23(30)29(12-11-24)18-7-9-19(31-2)10-8-18/h3-10,13-14H,11-12,24H2,1-2H3,(H,28,30)(H,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089237
PNG
(CHEMBL3577874)
Show SMILES CC(C)NC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C19H28N6O2/c1-12(2)21-19(27)24-9-7-15(8-10-24)22-18-20-11-14-5-6-16(26)25(13(3)4)17(14)23-18/h5-6,11-13,15H,7-10H2,1-4H3,(H,21,27)(H,20,22,23)
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n/an/a 28n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032826
PNG
(CHEMBL3355184)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CCNC1
Show InChI InChI=1/C21H21ClN6O2/c22-18-6-1-2-7-19(18)27-21(30)26-16-12-24-28(13-16)17-5-3-4-14(10-17)20(29)25-15-8-9-23-11-15/h1-7,10,12-13,15,23H,8-9,11H2,(H,25,29)(H2,26,27,30)
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n/an/a 29n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089235
PNG
(CHEMBL3577866)
Show SMILES CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24)/t15-,16-
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n/an/a 29n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089230
PNG
(CHEMBL3577871)
Show SMILES CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15+
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n/an/a 31n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089235
PNG
(CHEMBL3577866)
Show SMILES CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24)/t15-,16-
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n/an/a 31n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032818
PNG
(CHEMBL3352845)
Show SMILES CN(C)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C24H25ClN8O2/c1-31(2)10-11-32-15-18(13-26-32)28-23(34)17-6-5-7-20(12-17)33-16-19(14-27-33)29-24(35)30-22-9-4-3-8-21(22)25/h3-9,12-16H,10-11H2,1-2H3,(H,28,34)(H2,29,30,35)
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n/an/a 34n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032825
PNG
(CHEMBL3355183)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CNC1
Show InChI InChI=1S/C20H19ClN6O2/c21-17-6-1-2-7-18(17)26-20(29)25-15-11-23-27(12-15)16-5-3-4-13(8-16)19(28)24-14-9-22-10-14/h1-8,11-12,14,22H,9-10H2,(H,24,28)(H2,25,26,29)
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n/an/a 34n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072723
PNG
(CHEMBL3410032)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-3-5-15(6-4-14)25-21(27)26-16-7-9-17(28-2)10-8-16/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089237
PNG
(CHEMBL3577874)
Show SMILES CC(C)NC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C19H28N6O2/c1-12(2)21-19(27)24-9-7-15(8-10-24)22-18-20-11-14-5-6-16(26)25(13(3)4)17(14)23-18/h5-6,11-13,15H,7-10H2,1-4H3,(H,21,27)(H,20,22,23)
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n/an/a 36n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089230
PNG
(CHEMBL3577871)
Show SMILES CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15+
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n/an/a 37n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072668
PNG
(CHEMBL3410045)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Show InChI InChI=1S/C23H23N5O2/c1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a 37n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032816
PNG
(CHEMBL3355146)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H19ClN6O2/c1-15-9-10-17(12-25-15)27-22(31)16-5-4-6-19(11-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32)
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n/an/a 38n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089232
PNG
(CHEMBL3577869)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)/t17-,18-
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n/an/a 40n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072664
PNG
(CHEMBL3410036)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12
Show InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)
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n/an/a 43n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50072675
PNG
(CHEMBL3410022)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H21N5O2/c1-13(2)23-19(26)15-4-3-5-18(10-15)25-20(27)24-17-8-6-14(7-9-17)16-11-21-22-12-16/h3-13H,1-2H3,(H,21,22)(H,23,26)(H2,24,25,27)
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n/an/a 45n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072729
PNG
(CHEMBL3410051)
Show SMILES COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C25H28N6O2/c1-17-15-26-24-22(17)23(27-16-28-24)18-5-7-19(8-6-18)29-25(32)31(14-13-30(2)3)20-9-11-21(33-4)12-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 47n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50089235
PNG
(CHEMBL3577866)
Show SMILES CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24)/t15-,16-
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n/an/a 48n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072669
PNG
(CHEMBL3410048)
Show SMILES COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H23N5O3/c1-15-13-24-22-20(15)21(25-14-26-22)16-3-5-17(6-4-16)27-23(30)28(11-12-29)18-7-9-19(31-2)10-8-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a 53n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089228
PNG
(CHEMBL3577873)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C18H26N6O2/c1-4-19-18(26)23-9-7-14(8-10-23)21-17-20-11-13-5-6-15(25)24(12(2)3)16(13)22-17/h5-6,11-12,14H,4,7-10H2,1-3H3,(H,19,26)(H,20,21,22)
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n/an/a 54n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089234
PNG
(CHEMBL3577867)
Show SMILES CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15-
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n/an/a 57n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
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n/an/a 58n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072665
PNG
(CHEMBL3410040)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12
Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-6-8-16(9-7-15)27-22(30)28(10-11-29)18-5-3-2-4-17(18)23/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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n/an/a 58n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072619
PNG
(CHEMBL3410026)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2C(F)(F)F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H23F3N6O2/c1-13(2)32-23(35)16-5-4-6-17(9-16)33-24(36)34-19-8-7-15(10-18(19)25(26,27)28)21-20-14(3)11-29-22(20)31-12-30-21/h4-13H,1-3H3,(H,32,35)(H,29,30,31)(H2,33,34,36)
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n/an/a 60n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089230
PNG
(CHEMBL3577871)
Show SMILES CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)/t14-,15+
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n/an/a 61n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50364649
PNG
(CHEMBL1951346)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H24N6O2/c1-14(2)28-23(31)17-5-4-6-19(11-17)30-24(32)29-18-9-7-16(8-10-18)21-20-15(3)12-25-22(20)27-13-26-21/h4-14H,1-3H3,(H,28,31)(H,25,26,27)(H2,29,30,32)
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n/an/a 62n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032756
PNG
(CHEMBL3355167)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C22H18ClN7O2/c1-14-24-10-16(11-25-14)27-21(31)15-5-4-6-18(9-15)30-13-17(12-26-30)28-22(32)29-20-8-3-2-7-19(20)23/h2-13H,1H3,(H,27,31)(H2,28,29,32)
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n/an/a 62n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50089232
PNG
(CHEMBL3577869)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)/t17-,18-
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n/an/a 65n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)


Article DOI: 10.1021/ml500474d
BindingDB Entry DOI: 10.7270/Q2KH0Q2N
More data for this
Ligand-Target Pair
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