Found 5 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)) | BDBM50055236
(CHEMBL3317596)Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)[N+]([O-])=O)c1C(=O)OCC Show InChI InChI=1S/C17H17N3O6S/c1-3-25-16(21)12-13(17(22)26-4-2)15(27-14(12)18)19-9-10-5-7-11(8-6-10)20(23)24/h5-9H,3-4,18H2,1-2H3/b19-9+ | 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 | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins |
Eur J Med Chem 84: 739-45 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50055237
(CHEMBL3317599)Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(Br)cc2)c1C(=O)OCC Show InChI InChI=1S/C17H17BrN2O4S/c1-3-23-16(21)12-13(17(22)24-4-2)15(25-14(12)19)20-9-10-5-7-11(18)8-6-10/h5-9H,3-4,19H2,1-2H3/b20-9+ | 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 | 6.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins |
Eur J Med Chem 84: 739-45 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50055240
(CHEMBL3317604)Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(o2)[N+]([O-])=O)c1C(=O)OCC Show InChI InChI=1S/C15H15N3O7S/c1-3-23-14(19)10-11(15(20)24-4-2)13(26-12(10)16)17-7-8-5-6-9(25-8)18(21)22/h5-7H,3-4,16H2,1-2H3/b17-7+ | 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 | 7.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins |
Eur J Med Chem 84: 739-45 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50055238
(CHEMBL3317602)Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)N(C)C)c1C(=O)OCC Show InChI InChI=1S/C19H23N3O4S/c1-5-25-18(23)14-15(19(24)26-6-2)17(27-16(14)20)21-11-12-7-9-13(10-8-12)22(3)4/h7-11H,5-6,20H2,1-4H3/b21-11+ | 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 | 7.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins |
Eur J Med Chem 84: 739-45 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50055242
(CHEMBL3317605)Show InChI InChI=1S/C15H16N2O4S2/c1-3-20-14(18)10-11(15(19)21-4-2)13(23-12(10)16)17-8-9-6-5-7-22-9/h5-8H,3-4,16H2,1-2H3/b17-8+ | 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 | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins |
Eur J Med Chem 84: 739-45 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V |
More data for this Ligand-Target Pair | |