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Compile Data Set for Download or QSAR

Found 223 hits with Last Name = 'de diego' and Initial = 'e'   
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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 2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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 7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204269
PNG
(CHEMBL3909237)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
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 76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50434132
PNG
(CHEMBL2381642)
Show SMILES N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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 166n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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 230n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Astemizole from human ERG by membrane binding assay

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373946
PNG
(CHEMBL270657)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C24H27F2N5/c1-23(2,3)12-31-13-27-18-10-9-17(28-21(18)31)20-19(29-22(30-20)24(4,5)6)15-8-7-14(25)11-16(15)26/h7-11,13H,12H2,1-6H3,(H,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373967
PNG
(CHEMBL442972)
Show SMILES CC(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H22F2N6/c1-14(2)13-33-24-19(30-25(33)28)12-11-18(29-24)22-21(15-7-4-3-5-8-15)31-23(32-22)20-16(26)9-6-10-17(20)27/h3-12,14H,13H2,1-2H3,(H2,28,30)(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373950
PNG
(CHEMBL409698)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C26H23ClFN5/c1-26(2,3)14-33-15-29-20-13-12-19(30-25(20)33)23-22(16-8-5-4-6-9-16)31-24(32-23)21-17(27)10-7-11-18(21)28/h4-13,15H,14H2,1-3H3,(H,31,32)
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n/an/a 3.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373968
PNG
(CHEMBL272108)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C24H20F2N6O2S/c1-13(2)35(33,34)32-23-18(29-24(32)27)12-11-17(28-23)21-20(14-7-4-3-5-8-14)30-22(31-21)19-15(25)9-6-10-16(19)26/h3-13H,1-2H3,(H2,27,29)(H,30,31)
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n/an/a 3.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373947
PNG
(CHEMBL274201)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2FN5/c1-26(2,3)13-34-14-30-20-12-11-19(31-25(20)34)23-22(15-7-9-16(29)10-8-15)32-24(33-23)21-17(27)5-4-6-18(21)28/h4-12,14H,13H2,1-3H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373954
PNG
(CHEMBL429422)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31)
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n/an/a 3.70n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373952
PNG
(CHEMBL272731)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H19Cl2F2N5/c1-13(2)11-34-12-30-20-9-8-19(31-25(20)34)23-22(15-7-6-14(28)10-18(15)29)32-24(33-23)21-16(26)4-3-5-17(21)27/h3-10,12-13H,11H2,1-2H3,(H,32,33)
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n/an/a 3.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373951
PNG
(CHEMBL271505)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5/c1-13(2)11-30-12-26-18-9-8-17(27-21(18)30)20-19(28-22(29-20)23(3,4)5)15-7-6-14(24)10-16(15)25/h6-10,12-13H,11H2,1-5H3,(H,28,29)
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n/an/a 3.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164228
PNG
(1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164236
PNG
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29)
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n/an/a 4.40n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373966
PNG
(CHEMBL272989)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31)
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n/an/a 4.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164232
PNG
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373953
PNG
(CHEMBL402188)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C23H27N5/c1-15(2)13-28-14-24-18-12-11-17(25-21(18)28)20-19(16-9-7-6-8-10-16)26-22(27-20)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,26,27)
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n/an/a 5.10n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373970
PNG
(CHEMBL402219)
Show SMILES CC(C)(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C27H25F2N5/c1-27(2,3)15-34-21-14-17(12-13-20(21)31-26(34)30)24-23(16-8-5-4-6-9-16)32-25(33-24)22-18(28)10-7-11-19(22)29/h4-14H,15H2,1-3H3,(H2,30,31)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373963
PNG
(CHEMBL437030)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C24H22N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-15H,1-2H3,(H2,25,27)(H,28,29)
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n/an/a 6.10n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373965
PNG
(CHEMBL403294)
Show SMILES CC(C)(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C26H24F2N6/c1-26(2,3)14-34-24-19(31-25(34)29)13-12-18(30-24)22-21(15-8-5-4-6-9-15)32-23(33-22)20-16(27)10-7-11-17(20)28/h4-13H,14H2,1-3H3,(H2,29,31)(H,32,33)
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n/an/a 6.40n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373958
PNG
(CHEMBL402399)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H20Cl2FN5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27/h3-13H,1-2H3,(H2,29,30)(H,31,32)
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n/an/a 6.70n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373949
PNG
(CHEMBL411291)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C24H28FN5/c1-23(2,3)13-30-14-26-18-12-11-17(27-21(18)30)20-19(15-7-9-16(25)10-8-15)28-22(29-20)24(4,5)6/h7-12,14H,13H2,1-6H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373956
PNG
(CHEMBL271059)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc(C)[nH]c1-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN5O2S/c1-11(2)29(27,28)26-17-10-14(6-9-16(17)25-20(26)22)19-18(23-12(3)24-19)13-4-7-15(21)8-5-13/h4-11H,1-3H3,(H2,22,25)(H,23,24)
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n/an/a 7.10n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373948
PNG
(CHEMBL404118)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(F)cccc1F
Show InChI InChI=1S/C26H22F3N5/c1-26(2,3)13-34-14-30-20-12-11-19(31-25(20)34)23-22(15-7-9-16(27)10-8-15)32-24(33-23)21-17(28)5-4-6-18(21)29/h4-12,14H,13H2,1-3H3,(H,32,33)
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n/an/a 7.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373959
PNG
(CHEMBL270002)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C26H21ClF3N5O2S/c1-14(2)38(36,37)35-20-13-16(11-12-19(20)32-25(35)31)23-22(15-7-4-3-5-8-15)33-24(34-23)21-17(26(28,29)30)9-6-10-18(21)27/h3-14H,1-2H3,(H2,31,32)(H,33,34)
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n/an/a 8.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373955
PNG
(CHEMBL270842)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(C)nc1-c1ccc(F)cc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-10(2)30(28,29)27-17-8-12(4-7-16(17)26-20(27)23)18-19(25-11(3)24-18)14-6-5-13(21)9-15(14)22/h4-10H,1-3H3,(H2,23,26)(H,24,25)
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n/an/a 8.80n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373972
PNG
(CHEMBL444636)
Show SMILES CC(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C26H23F2N5/c1-15(2)14-33-21-13-17(11-12-20(21)30-26(33)29)24-23(16-7-4-3-5-8-16)31-25(32-24)22-18(27)9-6-10-19(22)28/h3-13,15H,14H2,1-2H3,(H2,29,30)(H,31,32)
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n/an/a 9.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373971
PNG
(CHEMBL256684)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C27H24F2N4/c1-16(2)15-33-17(3)30-22-13-12-19(14-23(22)33)26-25(18-8-5-4-6-9-18)31-27(32-26)24-20(28)10-7-11-21(24)29/h4-14,16H,15H2,1-3H3,(H,31,32)
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n/an/a 11.2n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50204259
PNG
(CHEMBL3913414)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t10-,11-,12-,13-,14+,17+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373960
PNG
(CHEMBL272142)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C25H21ClFN5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 14.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164233
PNG
(6-(2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 15.3n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204268
PNG
(CHEMBL3977508)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,14+,18+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373973
PNG
(CHEMBL404645)
Show SMILES CC(C)Cn1cnc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C26H22F2N4/c1-16(2)14-32-15-29-21-12-11-18(13-22(21)32)25-24(17-7-4-3-5-8-17)30-26(31-25)23-19(27)9-6-10-20(23)28/h3-13,15-16H,14H2,1-2H3,(H,30,31)
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n/an/a 16.2n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204267
PNG
(CHEMBL3939492)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(=O)OC)C(O)=O |r|
Show InChI InChI=1S/C17H18Cl2N2O7/c1-27-16(26)21-12-9-10(14(22)23)11(9)17(20,15(24)25)13(12)28-5-6-2-3-7(18)8(19)4-6/h2-4,9-13H,5,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t9-,10-,11-,12-,13+,17+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204256
PNG
(CHEMBL3948272)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncnn1C)C(O)=O |r|
Show InChI InChI=1S/C18H18Cl2N4O5S/c1-24-17(22-6-23-24)30-13-10-11(15(25)26)12(10)18(21,16(27)28)14(13)29-5-7-2-3-8(19)9(20)4-7/h2-4,6,10-14H,5,21H2,1H3,(H,25,26)(H,27,28)/t10-,11-,12-,13-,14+,18+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373957
PNG
(CHEMBL258150)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(C)nc1-c1ccccc1
Show InChI InChI=1S/C20H21N5O2S/c1-12(2)28(26,27)25-17-11-15(9-10-16(17)24-20(25)21)19-18(22-13(3)23-19)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 20.4n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50373946
PNG
(CHEMBL270657)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C24H27F2N5/c1-23(2,3)12-31-13-27-18-10-9-17(28-21(18)31)20-19(29-22(30-20)24(4,5)6)15-8-7-14(25)11-16(15)26/h7-11,13H,12H2,1-6H3,(H,29,30)
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n/an/a 20.7n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50204267
PNG
(CHEMBL3939492)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(=O)OC)C(O)=O |r|
Show InChI InChI=1S/C17H18Cl2N2O7/c1-27-16(26)21-12-9-10(14(22)23)11(9)17(20,15(24)25)13(12)28-5-6-2-3-7(18)8(19)4-6/h2-4,9-13H,5,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t9-,10-,11-,12-,13+,17+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50373947
PNG
(CHEMBL274201)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2FN5/c1-26(2,3)13-34-14-30-20-12-11-19(31-25(20)34)23-22(15-7-9-16(29)10-8-15)32-24(33-23)21-17(27)5-4-6-18(21)28/h4-12,14H,13H2,1-3H3,(H,32,33)
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n/an/a 23n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6683
PNG
(aminoimidazo[1,2-a]pyridine deriv. 18 | {2-amino-6...)
Show SMILES Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3OS/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 26n/an/an/an/a7.022



Avenida de la Industria



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....

Bioorg Med Chem Lett 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50204259
PNG
(CHEMBL3913414)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t10-,11-,12-,13-,14+,17+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...

Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373961
PNG
(CHEMBL271443)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H22F3N5O2S/c1-15(2)37(35,36)34-21-14-17(12-13-20(21)31-25(34)30)23-22(16-8-4-3-5-9-16)32-24(33-23)18-10-6-7-11-19(18)26(27,28)29/h3-15H,1-2H3,(H2,30,31)(H,32,33)
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n/an/a 26.1n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50164236
PNG
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29)
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n/an/a 26.2n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50373958
PNG
(CHEMBL402399)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H20Cl2FN5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27/h3-13H,1-2H3,(H2,29,30)(H,31,32)
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n/an/a 27.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6684
PNG
(aminoimidazo[1,2-a]pyridine deriv. 20 | {2-amino-6...)
Show SMILES COc1cc(F)c(C(=S)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Show InChI InChI=1S/C22H13F4N3O2S/c1-31-11-7-14(25)18(15(26)8-11)21(32)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
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n/an/a 29n/an/an/an/a7.022



Avenida de la Industria



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....

Bioorg Med Chem Lett 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
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