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PubMed code 17459703

Compile data set for download or QSAR
Found 111 hits of Enzyme Inhibition Constant Data   
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))
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
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
c-Jun N-terminal kinase, JNK


(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)
c-Jun N-terminal kinase, JNK


(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 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
c-Jun N-terminal kinase, JNK


(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 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
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(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
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
c-Jun N-terminal kinase, JNK


(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))
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
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(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 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))
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 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
c-Jun N-terminal kinase, JNK


(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
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
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(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
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 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)
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211439
PNG
((3R)-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-/m1/s1
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n/an/a 60n/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))
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 62n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211446
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-12-18(28)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/h2-5,10-11,13,22-23H,6-9,12H2,1H3,(H,24,25,26)
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n/an/a 67n/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))
BDBM50211431
PNG
(4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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n/an/a 67n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
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n/an/a 71n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211441
PNG
(4-(4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)26-11-8-14(9-12-26)24-19-22-10-7-18(25-19)16-13-23-17-6-4-3-5-15(16)17/h3-7,10,13-14,23H,2,8-9,11-12H2,1H3,(H,21,27)(H,22,24,25)
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n/an/a 74n/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))
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 82n/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))
BDBM50211446
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-12-18(28)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/h2-5,10-11,13,22-23H,6-9,12H2,1H3,(H,24,25,26)
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n/an/a 85n/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))
BDBM50211439
PNG
((3R)-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-/m1/s1
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n/an/a 88n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211431
PNG
(4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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n/an/a 92n/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))
BDBM50211439
PNG
((3R)-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-/m1/s1
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n/an/a 107n/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 10


(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 120n/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
Cyclin-dependent kinase 2


(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 123n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211447
PNG
(2-((S)-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-/m0/s1
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n/an/a 139n/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))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 177n/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))
BDBM50211446
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-12-18(28)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/h2-5,10-11,13,22-23H,6-9,12H2,1H3,(H,24,25,26)
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n/an/a 179n/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))
BDBM50211441
PNG
(4-(4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)26-11-8-14(9-12-26)24-19-22-10-7-18(25-19)16-13-23-17-6-4-3-5-15(16)17/h3-7,10,13-14,23H,2,8-9,11-12H2,1H3,(H,21,27)(H,22,24,25)
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n/an/a 245n/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))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 250n/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))
BDBM50211447
PNG
(2-((S)-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-/m0/s1
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n/an/a 267n/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))
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 281n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 320n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 360n/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))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 410n/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 10


(Homo sapiens (human))
BDBM50211431
PNG
(4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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n/an/a 412n/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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211431
PNG
(4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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n/an/a 412n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211435
PNG
(4-(5-chloro-4-(1H-indol-1-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)26-10-8-15(9-11-26)24-19-23-13-16(21)18(25-19)27-12-7-14-5-3-4-6-17(14)27/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,28)(H,23,24,25)
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n/an/a 457n/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))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
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n/an/a 512n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211433
PNG
(CHEMBL391794 | N-ethyl-4-(4-(2-isopropyl-1H-indol-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
Show InChI InChI=1S/C23H30N6O/c1-4-24-23(30)29-13-10-16(11-14-29)26-22-25-12-9-19(28-22)20-17-7-5-6-8-18(17)27-21(20)15(2)3/h5-9,12,15-16,27H,4,10-11,13-14H2,1-3H3,(H,24,30)(H,25,26,28)
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n/an/a 520n/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
Cyclin-dependent kinase 2


(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 551n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(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 555n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 582n/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
Cyclin-dependent kinase 2


(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 605n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(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 612n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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))
BDBM50211433
PNG
(CHEMBL391794 | N-ethyl-4-(4-(2-isopropyl-1H-indol-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
Show InChI InChI=1S/C23H30N6O/c1-4-24-23(30)29-13-10-16(11-14-29)26-22-25-12-9-19(28-22)20-17-7-5-6-8-18(17)27-21(20)15(2)3/h5-9,12,15-16,27H,4,10-11,13-14H2,1-3H3,(H,24,30)(H,25,26,28)
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n/an/a 698n/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
Transcription factor AP-1


(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 704n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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))
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 708n/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))
BDBM50211435
PNG
(4-(5-chloro-4-(1H-indol-1-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)26-10-8-15(9-11-26)24-19-23-13-16(21)18(25-19)27-12-7-14-5-3-4-6-17(14)27/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,28)(H,23,24,25)
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n/an/a 709n/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
Transcription factor AP-1


(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 741n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 807n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 813n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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 1.13E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211439
PNG
((3R)-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-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211425
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H19ClN6O/c1-2-20-18(26)25-9-11(10-25)23-17-22-8-14(19)16(24-17)13-7-21-15-6-4-3-5-12(13)15/h3-8,11,21H,2,9-10H2,1H3,(H,20,26)(H,22,23,24)
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n/an/a 1.34E+3n/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
Cyclin-dependent kinase 2


(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 1.52E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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))
BDBM50211425
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H19ClN6O/c1-2-20-18(26)25-9-11(10-25)23-17-22-8-14(19)16(24-17)13-7-21-15-6-4-3-5-12(13)15/h3-8,11,21H,2,9-10H2,1H3,(H,20,26)(H,22,23,24)
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n/an/a 1.55E+3n/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
Transcription factor AP-1


(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 1.77E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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 1.90E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(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 1.94E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211446
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-12-18(28)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/h2-5,10-11,13,22-23H,6-9,12H2,1H3,(H,24,25,26)
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n/an/a 2.03E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 2.48E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(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 2.50E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211446
PNG
(1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-12-18(28)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/h2-5,10-11,13,22-23H,6-9,12H2,1H3,(H,24,25,26)
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n/an/a 2.67E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(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 2.77E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 2.81E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211431
PNG
(4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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n/an/a 3.70E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 3.85E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211439
PNG
((3R)-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-/m1/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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 4.22E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211425
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H19ClN6O/c1-2-20-18(26)25-9-11(10-25)23-17-22-8-14(19)16(24-17)13-7-21-15-6-4-3-5-12(13)15/h3-8,11,21H,2,9-10H2,1H3,(H,20,26)(H,22,23,24)
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n/an/a 4.27E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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 4.36E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211435
PNG
(4-(5-chloro-4-(1H-indol-1-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)26-10-8-15(9-11-26)24-19-23-13-16(21)18(25-19)27-12-7-14-5-3-4-6-17(14)27/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,28)(H,23,24,25)
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n/an/a 4.44E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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))
BDBM50211425
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H19ClN6O/c1-2-20-18(26)25-9-11(10-25)23-17-22-8-14(19)16(24-17)13-7-21-15-6-4-3-5-12(13)15/h3-8,11,21H,2,9-10H2,1H3,(H,20,26)(H,22,23,24)
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n/an/a 5.00E+3n/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
Cyclin-dependent kinase 2


(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 5.28E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 6.27E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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 6.65E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(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 7.00E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 7.72E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211441
PNG
(4-(4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)26-11-8-14(9-12-26)24-19-22-10-7-18(25-19)16-13-23-17-6-4-3-5-15(16)17/h3-7,10,13-14,23H,2,8-9,11-12H2,1H3,(H,21,27)(H,22,24,25)
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n/an/a 8.09E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211433
PNG
(CHEMBL391794 | N-ethyl-4-(4-(2-isopropyl-1H-indol-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
Show InChI InChI=1S/C23H30N6O/c1-4-24-23(30)29-13-10-16(11-14-29)26-22-25-12-9-19(28-22)20-17-7-5-6-8-18(17)27-21(20)15(2)3/h5-9,12,15-16,27H,4,10-11,13-14H2,1-3H3,(H,24,30)(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211435
PNG
(4-(5-chloro-4-(1H-indol-1-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)26-10-8-15(9-11-26)24-19-23-13-16(21)18(25-19)27-12-7-14-5-3-4-6-17(14)27/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,28)(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Cyclin-dependent kinase 2


(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>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211441
PNG
(4-(4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)26-11-8-14(9-12-26)24-19-22-10-7-18(25-19)16-13-23-17-6-4-3-5-15(16)17/h3-7,10,13-14,23H,2,8-9,11-12H2,1H3,(H,21,27)(H,22,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211447
PNG
(2-((S)-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-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211447
PNG
(2-((S)-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-/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(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 1.93E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211433
PNG
(CHEMBL391794 | N-ethyl-4-(4-(2-isopropyl-1H-indol-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
Show InChI InChI=1S/C23H30N6O/c1-4-24-23(30)29-13-10-16(11-14-29)26-22-25-12-9-19(28-22)20-17-7-5-6-8-18(17)27-21(20)15(2)3/h5-9,12,15-16,27H,4,10-11,13-14H2,1-3H3,(H,24,30)(H,25,26,28)
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n/an/a 2.12E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
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n/an/a 2.99E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


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
* indicates data uncertainty>20%