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11 molecules are shown

Wt: 429.3
BDBM13593
Wt: 649.4
BDBM13595
Wt: 685.4
BDBM13596
Wt: 675.5
BDBM13599
Wt: 545.5
BDBM13815
Wt: 728.3
BDBM50142323
Wt: 707.5
BDBM50142328
Wt: 598.3
BDBM50142331
Wt: 429.3
BDBM50142332
Wt: 625.6
BDBM50142334
Wt: 675.5
BDBM50142335

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 13593,13595,13596,13599,13815,50142323,50142328,50142331,50142332,50142334,50142335   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13593
PNG
(({4-[(2R)-2-(1H-1,2,3-benzotriazol-1-yl)-2-phenyle...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(C[C@H](c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H18F2N3O3P/c22-21(23,30(27,28)29)17-12-10-15(11-13-17)14-20(16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-13,20H,14H2,(H2,27,28,29)/t20-/m1/s1
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n/an/a 8.04E+3n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) by UV/Vis spectrophotometry


Bioorg Med Chem 24: 3343-52 (2016)


Article DOI: 10.1016/j.bmc.2016.06.035
BindingDB Entry DOI: 10.7270/Q20Z756P
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 13n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 11n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 109n/an/an/an/a6.322



Merck Frosst Center for Therapeutic Research



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


J Biol Chem 281: 8010-5 (2006)


Article DOI: 10.1074/jbc.M511827200
BindingDB Entry DOI: 10.7270/Q2C53J3V
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 95n/an/an/an/a6.322



Merck Frosst Center for Therapeutic Research



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


J Biol Chem 281: 8010-5 (2006)


Article DOI: 10.1074/jbc.M511827200
BindingDB Entry DOI: 10.7270/Q2C53J3V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142335
PNG
(CHEMBL274435 | [(4-{4-Benzotriazol-1-yl-5-[4-(difl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C31H27F4N3O6P2/c32-30(33,45(39,40)41)25-16-12-22(13-17-25)7-6-20-29(24-8-2-1-3-9-24,38-28-11-5-4-10-27(28)36-37-38)21-23-14-18-26(19-15-23)31(34,35)46(42,43)44/h1-19H,20-21H2,(H2,39,40,41)(H2,42,43,44)/b7-6+
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142334
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-benzyloxy-phenyl)-2-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(OCc3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C35H30F2N3O4P/c36-35(37,45(41,42)43)30-19-15-26(16-20-30)23-34(29-11-5-2-6-12-29,40-33-14-8-7-13-32(33)38-39-40)24-27-17-21-31(22-18-27)44-25-28-9-3-1-4-10-28/h1-22H,23-25H2,(H2,41,42,43)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 240n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142323
PNG
(CHEMBL267488 | [(4-{2-Benzotriazol-1-yl-3-[3-bromo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H24BrF4N3O6P2/c30-24-16-20(12-15-23(24)29(33,34)45(41,42)43)18-27(21-6-2-1-3-7-21,37-26-9-5-4-8-25(26)35-36-37)17-19-10-13-22(14-11-19)28(31,32)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)
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n/an/a 160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142328
PNG
(4-{1-Benzotriazol-1-yl-1-[4-(difluoro-phosphono-me...)
Show SMILES COC(=O)c1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
Show InChI InChI=1S/C31H27F4N3O8P2/c1-46-28(39)22-10-16-23(17-11-22)29(38-27-5-3-2-4-26(27)36-37-38,18-20-6-12-24(13-7-20)30(32,33)47(40,41)42)19-21-8-14-25(15-9-21)31(34,35)48(43,44)45/h2-17H,18-19H2,1H3,(H2,40,41,42)(H2,43,44,45)
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n/an/a 11n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 49n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142331
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-bromo-phenyl)-2-phen...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C28H23BrF2N3O3P/c29-24-16-12-21(13-17-24)19-27(22-6-2-1-3-7-22,34-26-9-5-4-8-25(26)32-33-34)18-20-10-14-23(15-11-20)28(30,31)38(35,36)37/h1-17H,18-19H2,(H2,35,36,37)
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n/an/a 89n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142335
PNG
(CHEMBL274435 | [(4-{4-Benzotriazol-1-yl-5-[4-(difl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C31H27F4N3O6P2/c32-30(33,45(39,40)41)25-16-12-22(13-17-25)7-6-20-29(24-8-2-1-3-9-24,38-28-11-5-4-10-27(28)36-37-38)21-23-14-18-26(19-15-23)31(34,35)46(42,43)44/h1-19H,20-21H2,(H2,39,40,41)(H2,42,43,44)/b7-6+
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142331
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-bromo-phenyl)-2-phen...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C28H23BrF2N3O3P/c29-24-16-12-21(13-17-24)19-27(22-6-2-1-3-7-22,34-26-9-5-4-8-25(26)32-33-34)18-20-10-14-23(15-11-20)28(30,31)38(35,36)37/h1-17H,18-19H2,(H2,35,36,37)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142334
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-benzyloxy-phenyl)-2-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(OCc3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C35H30F2N3O4P/c36-35(37,45(41,42)43)30-19-15-26(16-20-30)23-34(29-11-5-2-6-12-29,40-33-14-8-7-13-32(33)38-39-40)24-27-17-21-31(22-18-27)44-25-28-9-3-1-4-10-28/h1-22H,23-25H2,(H2,41,42,43)
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n/an/a 98n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 460n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142323
PNG
(CHEMBL267488 | [(4-{2-Benzotriazol-1-yl-3-[3-bromo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H24BrF4N3O6P2/c30-24-16-20(12-15-23(24)29(33,34)45(41,42)43)18-27(21-6-2-1-3-7-21,37-26-9-5-4-8-25(26)35-36-37)17-19-10-13-22(14-11-19)28(31,32)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)
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n/an/a 5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142328
PNG
(4-{1-Benzotriazol-1-yl-1-[4-(difluoro-phosphono-me...)
Show SMILES COC(=O)c1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
Show InChI InChI=1S/C31H27F4N3O8P2/c1-46-28(39)22-10-16-23(17-11-22)29(38-27-5-3-2-4-26(27)36-37-38,18-20-6-12-24(13-7-20)30(32,33)47(40,41)42)19-21-8-14-25(15-9-21)31(34,35)48(43,44)45/h2-17H,18-19H2,1H3,(H2,40,41,42)(H2,43,44,45)
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n/an/a 84n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142331
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-bromo-phenyl)-2-phen...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C28H23BrF2N3O3P/c29-24-16-12-21(13-17-24)19-27(22-6-2-1-3-7-22,34-26-9-5-4-8-25(26)32-33-34)18-20-10-14-23(15-11-20)28(30,31)38(35,36)37/h1-17H,18-19H2,(H2,35,36,37)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142332
PNG
(CHEMBL9363 | {[4-(2-Benzotriazol-1-yl-2-phenyl-eth...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H18F2N3O3P/c22-21(23,30(27,28)29)17-12-10-15(11-13-17)14-20(16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-13,20H,14H2,(H2,27,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142328
PNG
(4-{1-Benzotriazol-1-yl-1-[4-(difluoro-phosphono-me...)
Show SMILES COC(=O)c1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
Show InChI InChI=1S/C31H27F4N3O8P2/c1-46-28(39)22-10-16-23(17-11-22)29(38-27-5-3-2-4-26(27)36-37-38,18-20-6-12-24(13-7-20)30(32,33)47(40,41)42)19-21-8-14-25(15-9-21)31(34,35)48(43,44)45/h2-17H,18-19H2,1H3,(H2,40,41,42)(H2,43,44,45)
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142323
PNG
(CHEMBL267488 | [(4-{2-Benzotriazol-1-yl-3-[3-bromo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H24BrF4N3O6P2/c30-24-16-20(12-15-23(24)29(33,34)45(41,42)43)18-27(21-6-2-1-3-7-21,37-26-9-5-4-8-25(26)35-36-37)17-19-10-13-22(14-11-19)28(31,32)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142334
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-benzyloxy-phenyl)-2-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(OCc3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C35H30F2N3O4P/c36-35(37,45(41,42)43)30-19-15-26(16-20-30)23-34(29-11-5-2-6-12-29,40-33-14-8-7-13-32(33)38-39-40)24-27-17-21-31(22-18-27)44-25-28-9-3-1-4-10-28/h1-22H,23-25H2,(H2,41,42,43)
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n/an/a 62n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142335
PNG
(CHEMBL274435 | [(4-{4-Benzotriazol-1-yl-5-[4-(difl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C31H27F4N3O6P2/c32-30(33,45(39,40)41)25-16-12-22(13-17-25)7-6-20-29(24-8-2-1-3-9-24,38-28-11-5-4-10-27(28)36-37-38)21-23-14-18-26(19-15-23)31(34,35)46(42,43)44/h1-19H,20-21H2,(H2,39,40,41)(H2,42,43,44)/b7-6+
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142323
PNG
(CHEMBL267488 | [(4-{2-Benzotriazol-1-yl-3-[3-bromo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H24BrF4N3O6P2/c30-24-16-20(12-15-23(24)29(33,34)45(41,42)43)18-27(21-6-2-1-3-7-21,37-26-9-5-4-8-25(26)35-36-37)17-19-10-13-22(14-11-19)28(31,32)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142334
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-benzyloxy-phenyl)-2-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(OCc3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C35H30F2N3O4P/c36-35(37,45(41,42)43)30-19-15-26(16-20-30)23-34(29-11-5-2-6-12-29,40-33-14-8-7-13-32(33)38-39-40)24-27-17-21-31(22-18-27)44-25-28-9-3-1-4-10-28/h1-22H,23-25H2,(H2,41,42,43)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142332
PNG
(CHEMBL9363 | {[4-(2-Benzotriazol-1-yl-2-phenyl-eth...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H18F2N3O3P/c22-21(23,30(27,28)29)17-12-10-15(11-13-17)14-20(16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-13,20H,14H2,(H2,27,28,29)
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n/an/a 8.04E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142332
PNG
(CHEMBL9363 | {[4-(2-Benzotriazol-1-yl-2-phenyl-eth...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H18F2N3O3P/c22-21(23,30(27,28)29)17-12-10-15(11-13-17)14-20(16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-13,20H,14H2,(H2,27,28,29)
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n/an/a 7.26E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 49n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142331
PNG
(({4-[2-Benzotriazol-1-yl-3-(4-bromo-phenyl)-2-phen...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C28H23BrF2N3O3P/c29-24-16-12-21(13-17-24)19-27(22-6-2-1-3-7-22,34-26-9-5-4-8-25(26)32-33-34)18-20-10-14-23(15-11-20)28(30,31)38(35,36)37/h1-17H,18-19H2,(H2,35,36,37)
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n/an/a 92n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142335
PNG
(CHEMBL274435 | [(4-{4-Benzotriazol-1-yl-5-[4-(difl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C31H27F4N3O6P2/c32-30(33,45(39,40)41)25-16-12-22(13-17-25)7-6-20-29(24-8-2-1-3-9-24,38-28-11-5-4-10-27(28)36-37-38)21-23-14-18-26(19-15-23)31(34,35)46(42,43)44/h1-19H,20-21H2,(H2,39,40,41)(H2,42,43,44)/b7-6+
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against T cell protein tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142328
PNG
(4-{1-Benzotriazol-1-yl-1-[4-(difluoro-phosphono-me...)
Show SMILES COC(=O)c1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
Show InChI InChI=1S/C31H27F4N3O8P2/c1-46-28(39)22-10-16-23(17-11-22)29(38-27-5-3-2-4-26(27)36-37-38,18-20-6-12-24(13-7-20)30(32,33)47(40,41)42)19-21-8-14-25(15-9-21)31(34,35)48(43,44)45/h2-17H,18-19H2,1H3,(H2,40,41,42)(H2,43,44,45)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1043-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.076
BindingDB Entry DOI: 10.7270/Q24M9404
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged PTP1B (1 to 321 residues) (unknown origin) expressed in bacterial expression system by UV/Vis spectrophotometry


Bioorg Med Chem 24: 3343-52 (2016)


Article DOI: 10.1016/j.bmc.2016.06.035
BindingDB Entry DOI: 10.7270/Q20Z756P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 16n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)