Found 218 hits with Last Name = 'ramachandran' and Initial = 'c' 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) |
Receptor-type tyrosine-protein phosphatase C
(Homo sapiens (Human)) | BDBM50069998
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)Show SMILES OP(O)(=O)C(F)(F)c1ccc2cccc(c2c1)C(F)(F)P(O)([O-])=O Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)8-5-4-7-2-1-3-10(9(7)6-8)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory constant against CD45 |
Bioorg Med Chem Lett 8: 345-50 (1999)
BindingDB Entry DOI: 10.7270/Q2TD9XV0 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50069997
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)Show SMILES OP(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-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory constant against PTP1B |
Bioorg Med Chem Lett 8: 345-50 (1999)
BindingDB Entry DOI: 10.7270/Q2TD9XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50070004
(difluoro(4-hydroxy-2-naphthyl)methylphosphonate)Show InChI InChI=1S/C11H9F2O4P/c12-11(13,18(15,16)17)8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,14H,(H2,15,16,17)/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| PubMed
| 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory constant against PTP1B |
Bioorg Med Chem Lett 8: 345-50 (1999)
BindingDB Entry DOI: 10.7270/Q2TD9XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50075312
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory constant against PTP1B |
Bioorg Med Chem Lett 8: 345-50 (1999)
BindingDB Entry DOI: 10.7270/Q2TD9XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50070001
(difluoro(1-naphthyl)methylphosphonate)Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,16)/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 2.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory constant against PTP1B |
Bioorg Med Chem Lett 8: 345-50 (1999)
BindingDB Entry DOI: 10.7270/Q2TD9XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13599
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 1
(Homo sapiens (Human)) | BDBM13599
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13599
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 1 [1-298]
(Homo sapiens (Human)) | BDBM13599
(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) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142323
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM13604
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13604
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142323
(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) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13603
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES CC(C)CC(O)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)22-38(49)36-21-18-31-23-32(24-39(40(31)45-36)56(50,51)52)30-16-12-28(13-17-30)25-41(33-8-4-3-5-9-33,48-37-11-7-6-10-35(37)46-47-48)26-29-14-19-34(20-15-29)42(43,44)57(53,54)55/h3-21,23-24,27,38,49H,22,25-26H2,1-2H3,(H2,50,51,52)(H2,53,54,55) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13601
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES CC(C)CCOc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C39H39F2N3O7P2/c1-27(2)22-23-51-36-21-18-31(24-37(36)52(45,46)47)30-16-12-28(13-17-30)25-38(32-8-4-3-5-9-32,44-35-11-7-6-10-34(35)42-43-44)26-29-14-19-33(20-15-29)39(40,41)53(48,49)50/h3-21,24,27H,22-23,25-26H2,1-2H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13604
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13596
(({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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 1 [1-298]
(Homo sapiens (Human)) | BDBM13600
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C35H31F2N3O7P2/c1-47-32-20-17-27(21-33(32)48(41,42)43)26-15-11-24(12-16-26)22-34(28-7-3-2-4-8-28,40-31-10-6-5-9-30(31)38-39-40)23-25-13-18-29(19-14-25)35(36,37)49(44,45)46/h2-21H,22-23H2,1H3,(H2,41,42,43)(H2,44,45,46) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142335
(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+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM13595
(({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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 1 [1-298]
(Homo sapiens (Human)) | BDBM13605
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COCOC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C44H44F2N4O8P2/c1-29(2)23-40(58-28-57-3)38-22-19-33-24-34(25-41(42(33)47-38)59(51,52)53)32-17-13-30(14-18-32)26-43(35-9-5-4-6-10-35,50-39-12-8-7-11-37(39)48-49-50)27-31-15-20-36(21-16-31)44(45,46)60(54,55)56/h4-22,24-25,29,40H,23,26-28H2,1-3H3,(H2,51,52,53)(H2,54,55,56) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13595
(({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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 1
(Homo sapiens (Human)) | BDBM50142328
(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) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13602
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13596
(({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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13602
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13596
(({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) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142328
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM13595
(({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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142324
(({4-[2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nnn[nH]2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C24H21F4N7O6P2/c25-23(26,42(36,37)38)17-9-5-15(6-10-17)13-22(21-30-32-33-31-21,35-20-4-2-1-3-19(20)29-34-35)14-16-7-11-18(12-8-16)24(27,28)43(39,40)41/h1-12H,13-14H2,(H2,36,37,38)(H2,39,40,41)(H,30,31,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50142335
(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+ | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13595
(({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) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13603
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES CC(C)CC(O)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)22-38(49)36-21-18-31-23-32(24-39(40(31)45-36)56(50,51)52)30-16-12-28(13-17-30)25-41(33-8-4-3-5-9-33,48-37-11-7-6-10-35(37)46-47-48)26-29-14-19-34(20-15-29)42(43,44)57(53,54)55/h3-21,23-24,27,38,49H,22,25-26H2,1-2H3,(H2,50,51,52)(H2,53,54,55) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 1
(Homo sapiens (Human)) | BDBM50142330
(CHEMBL8662 | [(4-{2-Benzothiazol-2-yl-2-benzotriaz...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H24F4N4O6P2S/c31-29(32,45(39,40)41)21-13-9-19(10-14-21)17-28(27-35-24-6-2-4-8-26(24)47-27,38-25-7-3-1-5-23(25)36-37-38)18-20-11-15-22(16-12-20)30(33,34)46(42,43)44/h1-16H,17-18H2,(H2,39,40,41)(H2,42,43,44) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142329
(({4-[2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc(cs2)-c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C32H26F4N4O6P2S/c33-31(34,47(41,42)43)24-14-10-21(11-15-24)18-30(40-28-9-5-4-8-26(28)38-39-40,29-37-27(20-49-29)23-6-2-1-3-7-23)19-22-12-16-25(17-13-22)32(35,36)48(44,45)46/h1-17,20H,18-19H2,(H2,41,42,43)(H2,44,45,46) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50142329
(({4-[2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc(cs2)-c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C32H26F4N4O6P2S/c33-31(34,47(41,42)43)24-14-10-21(11-15-24)18-30(40-28-9-5-4-8-26(28)38-39-40,29-37-27(20-49-29)23-6-2-1-3-7-23)19-22-12-16-25(17-13-22)32(35,36)48(44,45)46/h1-17,20H,18-19H2,(H2,41,42,43)(H2,44,45,46) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142325
(CHEMBL273474 | [(4-{2-Benzotriazol-1-yl-3-[4-(difl...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc3ccccc3n2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C32H26F4N4O6P2/c33-31(34,47(41,42)43)24-14-9-21(10-15-24)19-30(40-28-8-4-3-7-27(28)38-39-40,29-18-13-23-5-1-2-6-26(23)37-29)20-22-11-16-25(17-12-22)32(35,36)48(44,45)46/h1-18H,19-20H2,(H2,41,42,43)(H2,44,45,46) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50142330
(CHEMBL8662 | [(4-{2-Benzothiazol-2-yl-2-benzotriaz...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H24F4N4O6P2S/c31-29(32,45(39,40)41)21-13-9-19(10-14-21)17-28(27-35-24-6-2-4-8-26(24)47-27,38-25-7-3-1-5-23(25)36-37-38)18-20-11-15-22(16-12-20)30(33,34)46(42,43)44/h1-16H,17-18H2,(H2,39,40,41)(H2,42,43,44) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM13602
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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)) | BDBM13601
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES CC(C)CCOc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C39H39F2N3O7P2/c1-27(2)22-23-51-36-21-18-31(24-37(36)52(45,46)47)30-16-12-28(13-17-30)25-38(32-8-4-3-5-9-32,44-35-11-7-6-10-34(35)42-43-44)26-29-14-19-33(20-15-29)39(40,41)53(48,49)50/h3-21,24,27H,22-23,25-26H2,1-2H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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)) | BDBM13602
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM13605
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COCOC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C44H44F2N4O8P2/c1-29(2)23-40(58-28-57-3)38-22-19-33-24-34(25-41(42(33)47-38)59(51,52)53)32-17-13-30(14-18-32)26-43(35-9-5-4-6-10-35,50-39-12-8-7-11-37(39)48-49-50)27-31-15-20-36(21-16-31)44(45,46)60(54,55)56/h4-22,24-25,29,40H,23,26-28H2,1-3H3,(H2,51,52,53)(H2,54,55,56) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 1 [1-298]
(Homo sapiens (Human)) | BDBM13597
(({4-[(4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-1,2,3-be...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C31H25F2N4O3PS/c32-31(33,41(38,39)40)24-18-16-23(17-19-24)21-30(20-8-11-22-9-2-1-3-10-22,29-34-26-13-5-7-15-28(26)42-29)37-27-14-6-4-12-25(27)35-36-37/h1-19H,20-21H2,(H2,38,39,40)/b11-8+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13598
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-3-(4-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C34H28F2N3O3P/c35-34(36,43(40,41)42)30-21-17-26(18-22-30)24-33(29-11-5-2-6-12-29,39-32-14-8-7-13-31(32)37-38-39)23-25-15-19-28(20-16-25)27-9-3-1-4-10-27/h1-22H,23-24H2,(H2,40,41,42) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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)) | BDBM13598
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-3-(4-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C34H28F2N3O3P/c35-34(36,43(40,41)42)30-21-17-26(18-22-30)24-33(29-11-5-2-6-12-29,39-32-14-8-7-13-31(32)37-38-39)23-25-15-19-28(20-16-25)27-9-3-1-4-10-27/h1-22H,23-24H2,(H2,40,41,42) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50142325
(CHEMBL273474 | [(4-{2-Benzotriazol-1-yl-3-[4-(difl...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc3ccccc3n2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C32H26F4N4O6P2/c33-31(34,47(41,42)43)24-14-9-21(10-15-24)19-30(40-28-8-4-3-7-27(28)38-39-40,29-18-13-23-5-1-2-6-26(23)37-29)20-22-11-16-25(17-12-22)32(35,36)48(44,45)46/h1-18H,19-20H2,(H2,41,42,43)(H2,44,45,46) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM13600
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Show SMILES COc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C35H31F2N3O7P2/c1-47-32-20-17-27(21-33(32)48(41,42)43)26-15-11-24(12-16-26)22-34(28-7-3-2-4-8-28,40-31-10-6-5-9-30(31)38-39-40)23-25-13-18-29(19-14-25)35(36,37)49(44,45)46/h2-21H,22-23H2,1H3,(H2,41,42,43)(H2,44,45,46) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 6.3 | 22 |
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 1
(Homo sapiens (Human)) | BDBM50142324
(({4-[2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nnn[nH]2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C24H21F4N7O6P2/c25-23(26,42(36,37)38)17-9-5-15(6-10-17)13-22(21-30-32-33-31-21,35-20-4-2-1-3-19(20)29-34-35)14-16-7-11-18(12-8-16)24(27,28)43(39,40)41/h1-12H,13-14H2,(H2,36,37,38)(H2,39,40,41)(H,30,31,32,33) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |