Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50036988 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107741
(4-[3,5-di(4-difluorophosphonatephenethylcarboxamid...)Show SMILES [O-]C(=O)c1ccc(CNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P([O-])([O-])=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P([O-])([O-])=O)c2)cc1 Show InChI InChI=1S/C35H33F4N3O11P2/c36-34(37,54(48,49)50)26-11-3-21(4-12-26)7-15-30(43)41-28-17-25(32(45)40-20-23-1-9-24(10-2-23)33(46)47)18-29(19-28)42-31(44)16-8-22-5-13-27(14-6-22)35(38,39)55(51,52)53/h1-6,9-14,17-19H,7-8,15-16,20H2,(H,40,45)(H,41,43)(H,42,44)(H,46,47)(H2,48,49,50)(H2,51,52,53)/p-5 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Binding affinity towards the binding site in PTP1B enzyme |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Binding affinity towards the site of PTP1B enzyme |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107745
({7-[difluoro(phosphonato)methyl]-2-naphthyl}(diflu...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc2ccc(cc2c1)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B). |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase cell division cycle 25A |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 4
(Homo sapiens (Human)) | BDBM50107739
(CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPmeg-1. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50107744
(CHEMBL337604 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-9-5-15(6-10-17)13-33-19-3-1-2-4-20(19)34-14-16-7-11-18(12-8-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase cell division cycle 25A |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50107740
(CHEMBL140524 | [(4-{3-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase cell division cycle 25A |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50107742
(CHEMBL344437 | tetra ammonium [(4-{2-[4-(Difluoro-...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O8P2/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50107743
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta. |
J Med Chem 44: 4584-94 (2001)
BindingDB Entry DOI: 10.7270/Q21Z455D |
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Ligand-Target Pair | |
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