Found 47 hits of Enzyme Inhibition Constant Data 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)) | BDBM50142315
(2-[4-(Carboxy-difluoro-methyl)-benzyl]-2-[4-(diflu...)Show SMILES OC(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H29F4O9P/c35-33(36,29(39)40)27-15-11-23(12-16-27)19-32(30(41)46-21-25-7-3-1-4-8-25,31(42)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)34(37,38)48(43,44)45/h1-18H,19-22H2,(H,39,40)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142307
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H30F4O10P2/c34-32(35,48(40,41)42)27-15-11-23(12-16-27)19-31(29(38)46-21-25-7-3-1-4-8-25,30(39)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)33(36,37)49(43,44)45/h1-18H,19-22H2,(H2,40,41,42)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142316
(2-(4-Acetylsulfamoyl-benzyl)-2-[4-(difluoro-phosph...)Show SMILES CC(=O)NS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H32F2NO10PS/c1-24(38)37-49(44,45)30-18-14-26(15-19-30)21-33(31(39)46-22-27-8-4-2-5-9-27,32(40)47-23-28-10-6-3-7-11-28)20-25-12-16-29(17-13-25)34(35,36)48(41,42)43/h2-19H,20-23H2,1H3,(H,37,38)(H2,41,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142313
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142317
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142319
(CHEMBL276376 | [(4-{2,2-Bis-benzyloxy-3-[4-(difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(OCc2ccccc2)OCc2ccccc2)cc1 Show InChI InChI=1S/C31H30F4O8P2/c32-30(33,44(36,37)38)27-15-11-23(12-16-27)19-29(42-21-25-7-3-1-4-8-25,43-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)31(34,35)45(39,40)41/h1-18H,19-22H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142312
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142310
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142318
(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H18ClF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142308
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142307
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H30F4O10P2/c34-32(35,48(40,41)42)27-15-11-23(12-16-27)19-31(29(38)46-21-25-7-3-1-4-8-25,30(39)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)33(36,37)49(43,44)45/h1-18H,19-22H2,(H2,40,41,42)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142309
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142321
(2-[4-(Difluoro-phosphono-methyl)-benzyl]-2-(4-meth...)Show SMILES CS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H31F2O9PS/c1-46(41,42)29-18-14-25(15-19-29)21-32(30(36)43-22-26-8-4-2-5-9-26,31(37)44-23-27-10-6-3-7-11-27)20-24-12-16-28(17-13-24)33(34,35)45(38,39)40/h2-19H,20-23H2,1H3,(H2,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142312
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142317
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142319
(CHEMBL276376 | [(4-{2,2-Bis-benzyloxy-3-[4-(difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(OCc2ccccc2)OCc2ccccc2)cc1 Show InChI InChI=1S/C31H30F4O8P2/c32-30(33,44(36,37)38)27-15-11-23(12-16-27)19-29(42-21-25-7-3-1-4-8-25,43-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)31(34,35)45(39,40)41/h1-18H,19-22H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142313
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142316
(2-(4-Acetylsulfamoyl-benzyl)-2-[4-(difluoro-phosph...)Show SMILES CC(=O)NS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H32F2NO10PS/c1-24(38)37-49(44,45)30-18-14-26(15-19-30)21-33(31(39)46-22-27-8-4-2-5-9-27,32(40)47-23-28-10-6-3-7-11-28)20-25-12-16-29(17-13-25)34(35,36)48(41,42)43/h2-19H,20-23H2,1H3,(H,37,38)(H2,41,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142315
(2-[4-(Carboxy-difluoro-methyl)-benzyl]-2-[4-(diflu...)Show SMILES OC(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H29F4O9P/c35-33(36,29(39)40)27-15-11-23(12-16-27)19-32(30(41)46-21-25-7-3-1-4-8-25,31(42)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)34(37,38)48(43,44)45/h1-18H,19-22H2,(H,39,40)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142314
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142310
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142318
(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H18ClF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142308
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142310
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142309
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142321
(2-[4-(Difluoro-phosphono-methyl)-benzyl]-2-(4-meth...)Show SMILES CS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H31F2O9PS/c1-46(41,42)29-18-14-25(15-19-29)21-32(30(36)43-22-26-8-4-2-5-9-26,31(37)44-23-27-10-6-3-7-11-27)20-24-12-16-28(17-13-24)33(34,35)45(38,39)40/h2-19H,20-23H2,1H3,(H2,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142320
(CHEMBL9047 | {Difluoro-[5-(3-oxo-2,3-diphenyl-prop...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1-c1ccccc1 Show InChI InChI=1S/C28H23F2O4P/c29-28(30,35(32,33)34)26-17-16-20(18-24(26)21-10-4-1-5-11-21)19-25(22-12-6-2-7-13-22)27(31)23-14-8-3-9-15-23/h1-18,25H,19H2,(H2,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142314
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142307
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H30F4O10P2/c34-32(35,48(40,41)42)27-15-11-23(12-16-27)19-31(29(38)46-21-25-7-3-1-4-8-25,30(39)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)33(36,37)49(43,44)45/h1-18H,19-22H2,(H2,40,41,42)(H2,43,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142316
(2-(4-Acetylsulfamoyl-benzyl)-2-[4-(difluoro-phosph...)Show SMILES CC(=O)NS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H32F2NO10PS/c1-24(38)37-49(44,45)30-18-14-26(15-19-30)21-33(31(39)46-22-27-8-4-2-5-9-27,32(40)47-23-28-10-6-3-7-11-28)20-25-12-16-29(17-13-25)34(35,36)48(41,42)43/h2-19H,20-23H2,1H3,(H,37,38)(H2,41,42,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142312
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142318
(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H18ClF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142319
(CHEMBL276376 | [(4-{2,2-Bis-benzyloxy-3-[4-(difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(OCc2ccccc2)OCc2ccccc2)cc1 Show InChI InChI=1S/C31H30F4O8P2/c32-30(33,44(36,37)38)27-15-11-23(12-16-27)19-29(42-21-25-7-3-1-4-8-25,43-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)31(34,35)45(39,40)41/h1-18H,19-22H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142314
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142317
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142309
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142308
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142313
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142315
(2-[4-(Carboxy-difluoro-methyl)-benzyl]-2-[4-(diflu...)Show SMILES OC(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H29F4O9P/c35-33(36,29(39)40)27-15-11-23(12-16-27)19-32(30(41)46-21-25-7-3-1-4-8-25,31(42)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)34(37,38)48(43,44)45/h1-18H,19-22H2,(H,39,40)(H2,43,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142321
(2-[4-(Difluoro-phosphono-methyl)-benzyl]-2-(4-meth...)Show SMILES CS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H31F2O9PS/c1-46(41,42)29-18-14-25(15-19-29)21-32(30(36)43-22-26-8-4-2-5-9-26,31(37)44-23-27-10-6-3-7-11-27)20-24-12-16-28(17-13-24)33(34,35)45(38,39)40/h2-19H,20-23H2,1H3,(H2,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50142320
(CHEMBL9047 | {Difluoro-[5-(3-oxo-2,3-diphenyl-prop...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1-c1ccccc1 Show InChI InChI=1S/C28H23F2O4P/c29-28(30,35(32,33)34)26-17-16-20(18-24(26)21-10-4-1-5-11-21)19-25(22-12-6-2-7-13-22)27(31)23-14-8-3-9-15-23/h1-18,25H,19H2,(H2,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase |
Bioorg Med Chem Lett 14: 1039-42 (2004)
Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM |
More data for this
Ligand-Target Pair | |
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