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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'beevers' and Initial = 're'   
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 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
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103023
PNG
(US8541363, PVA-039)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C28H43N5O5/c1-6-7-13-21(22(34)26(37)31-20-11-9-8-10-12-20)32-24(35)18(2)30-27(38)23(28(3,4)5)33-25(36)19-14-16-29-17-15-19/h14-18,20-21,23H,6-13H2,1-5H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)/t18-,21-,23+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



St George's Hosptial Medical School; The University of Manchester

US Patent


Assay Description
The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....


US Patent US8541363 (2013)


BindingDB Entry DOI: 10.7270/Q2PC3105
More data for this
Ligand-Target Pair
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103022
PNG
(US8541363, PVA-037)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C29H44N4O5/c1-6-7-18-22(23(34)27(37)31-21-16-12-9-13-17-21)32-25(35)19(2)30-28(38)24(29(3,4)5)33-26(36)20-14-10-8-11-15-20/h8,10-11,14-15,19,21-22,24H,6-7,9,12-13,16-18H2,1-5H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)/t19-,22-,24+/m0/s1
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n/an/a 7.85n/an/an/an/an/an/a



St George's Hosptial Medical School; The University of Manchester

US Patent


Assay Description
The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....


US Patent US8541363 (2013)


BindingDB Entry DOI: 10.7270/Q2PC3105
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 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
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103021
PNG
(US8541363, PVA-038)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C27H41N5O5/c1-16(2)20(21(33)25(36)30-19-10-8-7-9-11-19)31-23(34)17(3)29-26(37)22(27(4,5)6)32-24(35)18-12-14-28-15-13-18/h12-17,19-20,22H,7-11H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t17-,20-,22+/m0/s1
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n/an/a 13.3n/an/an/an/an/an/a



St George's Hosptial Medical School; The University of Manchester

US Patent


Assay Description
The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....


US Patent US8541363 (2013)


BindingDB Entry DOI: 10.7270/Q2PC3105
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
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103020
PNG
(US8541363, PVA-026)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



St George's Hosptial Medical School; The University of Manchester

US Patent


Assay Description
The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....


US Patent US8541363 (2013)


BindingDB Entry DOI: 10.7270/Q2PC3105
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))
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 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))
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))
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 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
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
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))
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
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
Mitogen-activated protein kinase 8


(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
Mitogen-activated protein kinase 8


(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
Mitogen-activated protein kinase 8


(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
Mitogen-activated protein kinase 8


(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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182922
PNG
(1-(benzyloxy)-3-(3-(pyridin-4-yl)-1H-indol-6-yl)ur...)
Show SMILES O=C(NOCc1ccccc1)Nc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26)
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n/an/a 76n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182920
PNG
(1-methyl-1-phenyl-3-(3-(pyridin-4-yl)-1H-indol-6-y...)
Show SMILES CN(C(=O)Nc1ccc2c(c[nH]c2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-25(17-5-3-2-4-6-17)21(26)24-16-7-8-18-19(14-23-20(18)13-16)15-9-11-22-12-10-15/h2-14,23H,1H3,(H,24,26)
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n/an/a 84n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
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
Mitogen-activated protein kinase 8


(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
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