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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'james' and Initial = 'la'   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377180
PNG
(CHEMBL401633)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377165
PNG
(CHEMBL255867)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1
Show InChI InChI=1S/C20H21N7/c1-2-17(25-19(3-1)24-15-6-9-21-10-7-15)18-12-22-20-5-4-14(13-27(18)20)16-8-11-23-26-16/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,23,26)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377175
PNG
(CHEMBL436653)
Show SMILES Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-14-15(10-12)23(11-20-14)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377168
PNG
(CHEMBL255873)
Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377163
PNG
(CHEMBL403358)
Show SMILES NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H20N6O/c19-18(25)12-4-5-17-21-10-15(24(17)11-12)14-2-1-3-16(23-14)22-13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9H2,(H2,19,25)(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377169
PNG
(CHEMBL402629)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-18-20-11-16(23(18)12-14)15-3-2-4-17(22-15)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377181
PNG
(CHEMBL256963 | US11254667, Compound I-15 | US11542...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,19,20)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377186
PNG
(CHEMBL403433)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C16H17N5O/c1-22-12-5-6-16-18-9-14(21(16)10-12)13-3-2-4-15(20-13)19-11-7-17-8-11/h2-6,9-11,17H,7-8H2,1H3,(H,19,20)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377166
PNG
(CHEMBL255446)
Show SMILES Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C21H23N7/c1-27-13-16(11-24-27)15-5-6-21-23-12-19(28(21)14-15)18-3-2-4-20(26-18)25-17-7-9-22-10-8-17/h2-6,11-14,17,22H,7-10H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377167
PNG
(CHEMBL402361)
Show SMILES COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C23H24N6O/c1-30-23-8-6-16(13-26-23)17-5-7-22-25-14-20(29(22)15-17)19-3-2-4-21(28-19)27-18-9-11-24-12-10-18/h2-8,13-15,18,24H,9-12H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377179
PNG
(CHEMBL256961)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C17H18ClN5/c18-12-6-7-17-20-10-15(23(17)11-12)14-4-1-5-16(22-14)21-13-3-2-8-19-9-13/h1,4-7,10-11,13,19H,2-3,8-9H2,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377172
PNG
(CHEMBL404473)
Show SMILES Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-16(11-13)23(12-20-15)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211436
PNG
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211424
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211430
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211436
PNG
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 14n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377178
PNG
(CHEMBL402174)
Show SMILES COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-15-16(11-14)23(12-20-15)18-4-2-3-17(22-18)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211443
PNG
((3S)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylam...)
Show SMILES CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-5-6-13(12-27)25-19-24-11-16(21)18(26-19)15-10-23-17-8-4-3-7-14(15)17/h3-4,7-8,10-11,13,23H,2,5-6,9,12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211438
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-26(2)20(28)27-9-7-13(8-10-27)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211426
PNG
(2-((R)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl...)
Show SMILES CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-4-5-13(11-27)25-20-24-10-16(21)19(26-20)15-9-23-17-7-3-2-6-14(15)17/h2-3,6-7,9-10,13,23H,4-5,8,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211430
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377150
PNG
(CHEMBL256504)
Show SMILES C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-10-22-15(12-19-17(22)8-1)14-6-3-7-16(21-14)20-13-5-4-9-18-11-13/h1-3,6-8,10,12-13,18H,4-5,9,11H2,(H,20,21)/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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n/an/a 22n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211436
PNG
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211424
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 25n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
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n/an/a 26n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211444
PNG
(CHEMBL245535 | N-(2-(4-(5-chloro-4-(1H-indol-3-yl)...)
Show SMILES CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H23ClN6O2/c1-13(29)23-12-19(30)28-8-6-14(7-9-28)26-21-25-11-17(22)20(27-21)16-10-24-18-5-3-2-4-15(16)18/h2-5,10-11,14,24H,6-9,12H2,1H3,(H,23,29)(H,25,26,27)
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n/an/a 28n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211443
PNG
((3S)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylam...)
Show SMILES CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-5-6-13(12-27)25-19-24-11-16(21)18(26-19)15-10-23-17-8-4-3-7-14(15)17/h3-4,7-8,10-11,13,23H,2,5-6,9,12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211426
PNG
(2-((R)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl...)
Show SMILES CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-4-5-13(11-27)25-20-24-10-16(21)19(26-20)15-9-23-17-7-3-2-6-14(15)17/h2-3,6-7,9-10,13,23H,4-5,8,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211426
PNG
(2-((R)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl...)
Show SMILES CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-4-5-13(11-27)25-20-24-10-16(21)19(26-20)15-9-23-17-7-3-2-6-14(15)17/h2-3,6-7,9-10,13,23H,4-5,8,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211443
PNG
((3S)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylam...)
Show SMILES CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-5-6-13(12-27)25-19-24-11-16(21)18(26-19)15-10-23-17-8-4-3-7-14(15)17/h3-4,7-8,10-11,13,23H,2,5-6,9,12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240128
PNG
(6-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211438
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-26(2)20(28)27-9-7-13(8-10-27)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211434
PNG
(CHEMBL245533 | ethyl 4-(5-chloro-4-(1H-indol-3-yl)...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H22ClN5O2/c1-2-28-20(27)26-9-7-13(8-10-26)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17/h3-6,11-13,22H,2,7-10H2,1H3,(H,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377152
PNG
(CHEMBL437208 | US11254667, Compound I-12 | US11542...)
Show SMILES C1NCC1Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C15H15N5/c1-2-7-20-13(10-17-15(20)6-1)12-4-3-5-14(19-12)18-11-8-16-9-11/h1-7,10-11,16H,8-9H2,(H,18,19)
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n/an/a 39n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211440
PNG
(4-(5-chloro-4-(H-imidazo[1,2-a]pyridin-3-yl)pyrimi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C19H22ClN7O/c1-2-21-19(28)26-9-6-13(7-10-26)24-18-23-11-14(20)17(25-18)15-12-22-16-5-3-4-8-27(15)16/h3-5,8,11-13H,2,6-7,9-10H2,1H3,(H,21,28)(H,23,24,25)
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n/an/a 41n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211432
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H25ClN6O/c1-27(2)13-19(29)28-9-7-14(8-10-28)25-21-24-12-17(22)20(26-21)16-11-23-18-6-4-3-5-15(16)18/h3-6,11-12,14,23H,7-10,13H2,1-2H3,(H,24,25,26)
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n/an/a 45n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211444
PNG
(CHEMBL245535 | N-(2-(4-(5-chloro-4-(1H-indol-3-yl)...)
Show SMILES CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H23ClN6O2/c1-13(29)23-12-19(30)28-8-6-14(7-9-28)26-21-25-11-17(22)20(27-21)16-10-24-18-5-3-2-4-15(16)18/h2-5,10-11,14,24H,6-9,12H2,1H3,(H,23,29)(H,25,26,27)
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n/an/a 46n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211442
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CC1CCN(CC1)NC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H30ClN7O/c1-16-6-12-32(13-7-16)30-24(33)31-10-8-17(9-11-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,30,33)(H,27,28,29)
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n/an/a 47n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211430
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29)
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n/an/a 48n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377161
PNG
(CHEMBL256733)
Show SMILES CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C20H24N6O/c1-25(2)20(27)14-6-7-19-22-12-17(26(19)13-14)16-4-3-5-18(24-16)23-15-8-10-21-11-9-15/h3-7,12-13,15,21H,8-11H2,1-2H3,(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211434
PNG
(CHEMBL245533 | ethyl 4-(5-chloro-4-(1H-indol-3-yl)...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H22ClN5O2/c1-2-28-20(27)26-9-7-13(8-10-26)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17/h3-6,11-13,22H,2,7-10H2,1H3,(H,23,24,25)
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n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211440
PNG
(4-(5-chloro-4-(H-imidazo[1,2-a]pyridin-3-yl)pyrimi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C19H22ClN7O/c1-2-21-19(28)26-9-6-13(7-10-26)24-18-23-11-14(20)17(25-18)15-12-22-16-5-3-4-8-27(15)16/h3-5,8,11-13H,2,6-7,9-10H2,1H3,(H,21,28)(H,23,24,25)
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n/an/a 55n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211432
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H25ClN6O/c1-27(2)13-19(29)28-9-7-14(8-10-28)25-21-24-12-17(22)20(26-21)16-11-23-18-6-4-3-5-15(16)18/h3-6,11-12,14,23H,7-10,13H2,1-2H3,(H,24,25,26)
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n/an/a 57n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211424
PNG
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 57n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211427
PNG
(4-(4-(H-imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yla...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C19H23N7O/c1-2-20-19(27)25-11-7-14(8-12-25)23-18-21-9-6-15(24-18)16-13-22-17-5-3-4-10-26(16)17/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H,20,27)(H,21,23,24)
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n/an/a 59n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
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