Found 8 hits for monomerid = 15819 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
J Med Chem 52: 3159-65 (2009)
Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein-Tyrosine Phosphatase 1B (PTP1B)
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 76 | -9.61 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang Sci-Tech University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric method |
Bioorg Med Chem Lett 29: 2358-2363 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.011 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B |
J Med Chem 47: 4142-6 (2004)
Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | |
T-cell protein-tyrosine phosphatase
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang Sci-Tech University
Curated by ChEMBL
| Assay Description Inhibition of TCPTP (unknown origin) using pNPP as substrate by colorimetric method |
Bioorg Med Chem Lett 29: 2358-2363 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.011 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase alpha
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |