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Compile Data Set for Download or QSAR

Found 1158 hits with Last Name = 'imamura' and Initial = 's'   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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0.0210n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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0.0240n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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0.0440n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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0.120n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
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))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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2.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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4.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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22n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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23n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysis


Bioorg Med Chem 19: 5342-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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1.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312266
PNG
((4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)pheny...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C16H11F8N2O4P/c17-14(18,19)9-5-10(15(20,21)22)7-12(6-9)26-13(27)25-11-3-1-8(2-4-11)16(23,24)31(28,29)30/h1-7H,(H2,25,26,27)(H2,28,29,30)
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3.10E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312260
PNG
((4-(3,5-bis(trifluoromethyl)phenylcarbamoyl)phenyl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H10F8NO4P/c17-14(18,19)10-5-11(15(20,21)22)7-12(6-10)25-13(26)8-1-3-9(4-2-8)16(23,24)30(27,28)29/h1-7H,(H,25,26)(H2,27,28,29)
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3.30E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312259
PNG
((4-(4-bromo-3-(trifluoromethyl)phenylcarbamoyl)phe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Br)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10BrF5NO4P/c16-12-6-5-10(7-11(12)14(17,18)19)22-13(23)8-1-3-9(4-2-8)15(20,21)27(24,25)26/h1-7H,(H,22,23)(H2,24,25,26)
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4.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312258
PNG
((4-(4-chloro-3-(trifluoromethyl)phenylcarbamoyl)ph...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10ClF5NO4P/c16-12-6-5-10(7-11(12)14(17,18)19)22-13(23)8-1-3-9(4-2-8)15(20,21)27(24,25)26/h1-7H,(H,22,23)(H2,24,25,26)
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6.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312256
PNG
((4-(4-bromophenylcarbamoyl)phenyl)difluoromethylph...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrF2NO4P/c15-11-5-7-12(8-6-11)18-13(19)9-1-3-10(4-2-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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1.03E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312252
PNG
(CHEMBL1080488 | difluoro(4-(3-(trifluoromethyl)phe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F5NO4P/c16-14(17,18)11-2-1-3-12(8-11)21-13(22)9-4-6-10(7-5-9)15(19,20)26(23,24)25/h1-8H,(H,21,22)(H2,23,24,25)
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1.07E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312257
PNG
(CHEMBL1080667 | difluoro(4-(4-fluoro-3-(trifluorom...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F6NO4P/c16-12-6-5-10(7-11(12)14(17,18)19)22-13(23)8-1-3-9(4-2-8)15(20,21)27(24,25)26/h1-7H,(H,22,23)(H2,24,25,26)
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1.14E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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PubMed
1.48E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human HCPTPA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312255
PNG
((4-(4-chlorophenylcarbamoyl)phenyl)difluoromethylp...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClF2NO4P/c15-11-5-7-12(8-6-11)18-13(19)9-1-3-10(4-2-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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1.68E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312251
PNG
((4-(3-bromophenylcarbamoyl)phenyl)difluoromethylph...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrF2NO4P/c15-11-2-1-3-12(8-11)18-13(19)9-4-6-10(7-5-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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1.82E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312254
PNG
(CHEMBL1080494 | difluoro(4-(4-(trifluoromethyl)phe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F5NO4P/c16-14(17,18)10-5-7-12(8-6-10)21-13(22)9-1-3-11(4-2-9)15(19,20)26(23,24)25/h1-8H,(H,21,22)(H2,23,24,25)
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1.85E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312253
PNG
(CHEMBL1075857 | difluoro(4-(4-fluorophenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11F3NO4P/c15-11-5-7-12(8-6-11)18-13(19)9-1-3-10(4-2-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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2.27E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312244
PNG
(CHEMBL1080018 | difluoro(4-(phenylcarbamoyl)phenyl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12F2NO4P/c15-14(16,22(19,20)21)11-8-6-10(7-9-11)13(18)17-12-4-2-1-3-5-12/h1-9H,(H,17,18)(H2,19,20,21)
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2.40E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
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))
BDBM50389606
PNG
(CHEMBL2069625)
Show SMILES Cc1oc(nc1COc1cccc(CO)c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob...


ACS Med Chem Lett 3: 342-346 (2012)


Article DOI: 10.1021/ml3000403
BindingDB Entry DOI: 10.7270/Q2FN1782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312243
PNG
(CHEMBL1080017 | difluoro(4-(thiazol-2-ylcarbamoyl)...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C11H9F2N2O4PS/c12-11(13,20(17,18)19)8-3-1-7(2-4-8)9(16)15-10-14-5-6-21-10/h1-6H,(H,14,15,16)(H2,17,18,19)
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3.30E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312250
PNG
((4-(3-chlorophenylcarbamoyl)phenyl)difluoromethylp...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClF2NO4P/c15-11-2-1-3-12(8-11)18-13(19)9-4-6-10(7-5-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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3.49E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312249
PNG
(CHEMBL1080201 | difluoro(4-(3-fluorophenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C14H11F3NO4P/c15-11-2-1-3-12(8-11)18-13(19)9-4-6-10(7-5-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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4.18E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312242
PNG
((4-(benzylcarbamoyl)phenyl)difluoromethylphosphoni...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C15H14F2NO4P/c16-15(17,23(20,21)22)13-8-6-12(7-9-13)14(19)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H2,20,21,22)
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4.31E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312248
PNG
((4-(2-bromophenylcarbamoyl)phenyl)difluoromethylph...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1Br
Show InChI InChI=1S/C14H11BrF2NO4P/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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4.46E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312241
PNG
(CHEMBL1081937 | difluoro(4-(2,2,2-trifluoroethylca...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C10H9F5NO4P/c11-9(12,13)5-16-8(17)6-1-3-7(4-2-6)10(14,15)21(18,19)20/h1-4H,5H2,(H,16,17)(H2,18,19,20)
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4.97E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312247
PNG
(CHEMBL1075838 | difluoro(4-(2-(trifluoromethyl)phe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F5NO4P/c16-14(17,18)11-3-1-2-4-12(11)21-13(22)9-5-7-10(8-6-9)15(19,20)26(23,24)25/h1-8H,(H,21,22)(H2,23,24,25)
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5.48E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312240
PNG
(CHEMBL1081936 | difluoro(4-(phenethylcarbamoyl)phe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C16H16F2NO4P/c17-16(18,24(21,22)23)14-8-6-13(7-9-14)15(20)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)(H2,21,22,23)
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6.16E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312231
PNG
((4-benzamidophenyl)difluoromethylphosphonic acid |...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12F2NO4P/c15-14(16,22(19,20)21)11-6-8-12(9-7-11)17-13(18)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,19,20,21)
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6.55E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312246
PNG
((4-(2-chlorophenylcarbamoyl)phenyl)difluoromethylp...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H11ClF2NO4P/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)14(16,17)23(20,21)22/h1-8H,(H,18,19)(H2,20,21,22)
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6.80E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312239
PNG
((4-(cyclopentylcarbamoyl)phenyl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C13H16F2NO4P/c14-13(15,21(18,19)20)10-7-5-9(6-8-10)12(17)16-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,16,17)(H2,18,19,20)
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7.24E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312230
PNG
(CHEMBL1081583 | difluoro(4-nitrophenyl)methylphosp...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2NO5P/c8-7(9,16(13,14)15)5-1-3-6(4-2-5)10(11)12/h1-4H,(H2,13,14,15)
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7.54E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312234
PNG
((2-benzyl-2H-indazol-5-yl)difluoromethylphosphonic...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2nn(Cc3ccccc3)cc2c1
Show InChI InChI=1S/C15H13F2N2O3P/c16-15(17,23(20,21)22)13-6-7-14-12(8-13)10-19(18-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,20,21,22)
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8.44E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312229
PNG
((4-bromophenyl)difluoromethylphosphonic acid | CHE...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(Br)cc1
Show InChI InChI=1S/C7H6BrF2O3P/c8-6-3-1-5(2-4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
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9.23E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50075308
PNG
((Biphenyl-4-yl-difluoro-methyl)-phosphonic acid | ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312227
PNG
(CHEMBL1081060 | difluoro(4-(2-oxo-2-(phenylamino)e...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H14F2NO4P/c16-15(17,23(20,21)22)12-8-6-11(7-9-12)10-14(19)18-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)(H2,20,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312226
PNG
(4-(difluoro(phosphono)methyl)benzoic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H7F2O5P/c9-8(10,16(13,14)15)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H2,13,14,15)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312228
PNG
(CHEMBL1081748 | difluoro(4-(1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C11H11F2N2O3P/c1-15-7-9(6-14-15)8-2-4-10(5-3-8)11(12,13)19(16,17)18/h2-7H,1H3,(H2,16,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312232
PNG
(CHEMBL1079660 | difluoro(3-(phenylcarbamoyl)phenyl...)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12F2NO4P/c15-14(16,22(19,20)21)11-6-4-5-10(9-11)13(18)17-12-7-2-1-3-8-12/h1-9H,(H,17,18)(H2,19,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50312233
PNG
((1-benzyl-1H-indazol-5-yl)difluoromethylphosphonic...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2n(Cc3ccccc3)ncc2c1
Show InChI InChI=1S/C15H13F2N2O3P/c16-15(17,23(20,21)22)13-6-7-14-12(8-13)9-18-19(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human LAR


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CD45


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human VHR


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human TCPTP


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50312261
PNG
((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PtpB


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
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