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PubMed code 19019675

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to SRC (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ABL (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to LCK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to TRAK-A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to FGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to PKC beta2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to SRC (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ECK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CLK1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K9 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ABL (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to SRC (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to TRAK-A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K9 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MST2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to LCK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to BTK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K9 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to TRAK-A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CLK1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to TRAK-A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CLK1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to PKC beta2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ECK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to PKC beta2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MST2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ABL (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ABL (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to FGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CLK1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to SRC (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MST2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to BTK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to BTK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ECK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to BTK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to ECK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MST2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to PKC beta2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K9 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to LCK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50255013
PNG
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)
Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to LCK (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50255012
PNG
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)
Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to FGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to FGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%