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BDBM50255048 3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5-hydroxymethyl-furan-2-carbonyl)-hydrazonomethyl]-benzoic acid::CHEMBL481968

SMILES: OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F

InChI Key: InChIKey=KRHBKGFRNLMKSL-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50255048   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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n/an/a 100n/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
BindingDB Entry DOI: 10.7270/Q22F7N98
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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 500n/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
BindingDB Entry DOI: 10.7270/Q22F7N98
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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 3.00E+3n/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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 3.00E+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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 4.00E+3n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 7.00E+3n/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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 1.50E+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
BindingDB Entry DOI: 10.7270/Q22F7N98
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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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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
BindingDB Entry DOI: 10.7270/Q22F7N98
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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n/an/a 3.00E+3n/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
BindingDB Entry DOI: 10.7270/Q22F7N98
More data for this
Ligand-Target Pair