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Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'henry' and Initial = 'jr'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 0.460n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50122996
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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n/an/a 0.700n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta dependent Tau protein serine-396 phosphorylation in human SY5Y cells


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50215268
PNG
(CHEMBL325211)
Show SMILES Nc1cc(OCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H19FN4O/c26-19-8-6-18(7-9-19)24-22(17-10-12-28-13-11-17)23-20(14-21(27)29-25(23)30-24)31-15-16-4-2-1-3-5-16/h1-14H,15H2,(H3,27,29,30)
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n/an/a 0.910n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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n/an/a 1.10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 1.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 1.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150698
PNG
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150700
PNG
(7-(4-Imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-2,5-dihy...)
Show SMILES CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C26H23N5O4/c1-15(2)35-26(34)30-11-10-29-14-18(17-7-5-6-16(13-30)23(17)29)21-22(25(33)28-24(21)32)19-12-27-20-8-3-4-9-31(19)20/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,28,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50067495
PNG
(2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyri...)
Show SMILES COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H21FN4O2/c1-32-20-4-2-3-16(13-20)15-33-21-14-22(28)30-26-24(21)23(17-9-11-29-12-10-17)25(31-26)18-5-7-19(27)8-6-18/h2-14H,15H2,1H3,(H3,28,30,31)
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n/an/a 1.5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150701
PNG
(7-(4-(H-imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-...)
Show SMILES CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C25H22N6O3/c1-28(2)25(34)30-11-10-29-14-17(16-7-5-6-15(13-30)22(16)29)20-21(24(33)27-23(20)32)18-12-26-19-8-3-4-9-31(18)19/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,32,33)
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150702
PNG
(3-Imidazo[1,2-a]pyridin-3-yl-4-[2-(piperidine-1-ca...)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C28H26N6O3/c35-26-23(24(27(36)30-26)21-15-29-22-9-2-5-12-34(21)22)20-17-32-13-14-33(28(37)31-10-3-1-4-11-31)16-18-7-6-8-19(20)25(18)32/h2,5-9,12,15,17H,1,3-4,10-11,13-14,16H2,(H,30,35,36)
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta dependent Tau protein serine-396 phosphorylation in human SY5Y cells


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-16-13-27-21(25-5)12-19(16)28-14)15-6-7-18(24)20(11-15)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 1.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50215161
PNG
(CHEMBL324468)
Show SMILES Nc1cc(OCc2ccc(F)cc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H18F2N4O/c26-18-5-1-15(2-6-18)14-32-20-13-21(28)30-25-23(20)22(16-9-11-29-12-10-16)24(31-25)17-3-7-19(27)8-4-17/h1-13H,14H2,(H3,28,30,31)
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n/an/a 2n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/s2
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150702
PNG
(3-Imidazo[1,2-a]pyridin-3-yl-4-[2-(piperidine-1-ca...)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C28H26N6O3/c35-26-23(24(27(36)30-26)21-15-29-22-9-2-5-12-34(21)22)20-17-32-13-14-33(28(37)31-10-3-1-4-11-31)16-18-7-6-8-19(20)25(18)32/h2,5-9,12,15,17H,1,3-4,10-11,13-14,16H2,(H,30,35,36)
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50123004
PNG
(2-Phenyl-3-[2-((R)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150698
PNG
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35)
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n/an/a 2.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta dependent Tau protein serine-396 phosphorylation in human SY5Y cells


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H27FN6O/c1-13-16(10-15-12-26-20(24-5)29-19(15)27-13)14-6-7-17(23)18(11-14)28-21(30)25-9-8-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 2.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 2.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50123000
PNG
(2-Phenyl-3-{2-[(S)-(1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C27H24N6/c28-23-14-16-33-26(25(32-27(33)31-23)19-8-2-1-3-9-19)20-13-15-29-24(17-20)30-22-12-6-10-18-7-4-5-11-21(18)22/h1-5,7-9,11,13-17,22H,6,10,12H2,(H,29,30)(H2,28,31,32)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-16-13-27-21(25-5)12-19(16)28-14)15-6-7-18(24)20(11-15)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50215299
PNG
(CHEMBL263536)
Show SMILES CCCCOc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN4O/c1-2-3-12-28-17-13-18(24)26-22-20(17)19(14-8-10-25-11-9-14)21(27-22)15-4-6-16(23)7-5-15/h4-11,13H,2-3,12H2,1H3,(H3,24,26,27)
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n/an/a 4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C25H32FN5O2/c1-7-31-21-13-22(27-6)29-14-16(21)11-18(23(31)32)17-12-20(19(26)10-15(17)2)30-24(33)28-9-8-25(3,4)5/h10-14H,7-9H2,1-6H3,(H,27,29)(H2,28,30,33)
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C24H31N5O/c1-15-7-8-18(29-23(30)26-10-9-24(3,4)5)12-19(15)20-11-17-14-27-22(25-6)13-21(17)28-16(20)2/h7-8,11-14H,9-10H2,1-6H3,(H,25,27)(H2,26,29,30)
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 4.40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150697
PNG
(3-Imidazo[1,2-a]pyridin-3-yl-4-[9-methyl-2-(piperi...)
Show SMILES Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H28N6O3/c1-18-13-19-16-34(29(38)32-8-4-2-5-9-32)12-11-33-17-21(20(14-18)26(19)33)24-25(28(37)31-27(24)36)22-15-30-23-7-3-6-10-35(22)23/h3,6-7,10,13-15,17H,2,4-5,8-9,11-12,16H2,1H3,(H,31,36,37)
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n/an/a 5.20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C25H32FN5O2/c1-7-31-21-13-22(27-6)29-14-16(21)11-18(23(31)32)17-12-20(19(26)10-15(17)2)30-24(33)28-9-8-25(3,4)5/h10-14H,7-9H2,1-6H3,(H,27,29)(H2,28,30,33)
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n/an/a 5.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096324
PNG
(CHEMBL3577121)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C24H30FN5O/c1-14-9-19(25)21(30-23(31)27-8-7-24(3,4)5)11-17(14)18-10-16-13-28-22(26-6)12-20(16)29-15(18)2/h9-13H,7-8H2,1-6H3,(H,26,28)(H2,27,30,31)
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n/an/a 5.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
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n/an/a 5.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50215274
PNG
(CHEMBL332917)
Show SMILES CCCCOc1cc(OC)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3O2/c1-3-4-13-29-18-14-19(28-2)26-23-21(18)20(15-9-11-25-12-10-15)22(27-23)16-5-7-17(24)8-6-16/h5-12,14H,3-4,13H2,1-2H3,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 6.10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50215267
PNG
(CHEMBL115769 | RWJ-68354)
Show SMILES COc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
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n/an/a 6.30n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells


Bioorg Med Chem Lett 8: 3335-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00589-7
BindingDB Entry DOI: 10.7270/Q25T3NNZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C24H31N5O/c1-15-7-8-18(29-23(30)26-10-9-24(3,4)5)12-19(15)20-11-17-14-27-22(25-6)13-21(17)28-16(20)2/h7-8,11-14H,9-10H2,1-6H3,(H,25,27)(H2,26,29,30)
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n/an/a 6.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 6.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM15457
PNG
(2-(4-fluorophenyl)-4-methoxy-3-(pyridin-4-yl)-1H-p...)
Show SMILES COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells


Bioorg Med Chem Lett 13: 347-50 (2003)


Article DOI: 10.1016/s0960-894x(02)01020-x
BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096330
PNG
(CHEMBL3577117)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C
Show InChI InChI=1/C24H30FN5O2/c1-13-7-18(25)20(30-23(32)28-12-21(31)24(3,4)5)9-16(13)17-8-15-11-27-22(26-6)10-19(15)29-14(17)2/h7-11,21,31H,12H2,1-6H3,(H,26,27)(H2,28,30,32)/t21-/s2
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n/an/a 7.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H27FN6O/c1-13-16(10-15-12-26-20(24-5)29-19(15)27-13)14-6-7-17(23)18(11-14)28-21(30)25-9-8-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 7.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096330
PNG
(CHEMBL3577117)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C
Show InChI InChI=1/C24H30FN5O2/c1-13-7-18(25)20(30-23(32)28-12-21(31)24(3,4)5)9-16(13)17-8-15-11-27-22(26-6)10-19(15)29-14(17)2/h7-11,21,31H,12H2,1-6H3,(H,26,27)(H2,28,30,32)/t21-/s2
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n/an/a 7.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
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