BDBM50228022 CHEMBL404319::N-{1-(5-benzyl-1H-imidazol-2-yl)-2-[4-(1,1,3-trioxo-1lambda6-isothiazolidin-5-yl)-phenyl]-ethyl}-3-fluoro-benzenesulfonamide
SMILES: Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(Cc2ccccc2)[nH]1
InChI Key: InChIKey=PONPMHNRESGPEZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50228022 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 |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50228022
(CHEMBL404319 | N-{1-(5-benzyl-1H-imidazol-2-yl)-2-...)Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(Cc2ccccc2)[nH]1 |w:11.11| Show InChI InChI=1S/C27H25FN4O5S2/c28-21-7-4-8-23(15-21)38(34,35)31-24(27-29-17-22(30-27)13-18-5-2-1-3-6-18)14-19-9-11-20(12-10-19)25-16-26(33)32-39(25,36)37/h1-12,15,17,24-25,31H,13-14,16H2,(H,29,30)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description Inhibition of TCPTP by pNPP assay |
Bioorg Med Chem Lett 18: 66-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.012 BindingDB Entry DOI: 10.7270/Q2BV7GCQ |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50228022
(CHEMBL404319 | N-{1-(5-benzyl-1H-imidazol-2-yl)-2-...)Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(Cc2ccccc2)[nH]1 |w:11.11| Show InChI InChI=1S/C27H25FN4O5S2/c28-21-7-4-8-23(15-21)38(34,35)31-24(27-29-17-22(30-27)13-18-5-2-1-3-6-18)14-19-9-11-20(12-10-19)25-16-26(33)32-39(25,36)37/h1-12,15,17,24-25,31H,13-14,16H2,(H,29,30)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description Inhibition of PTP1B by pNPP assay |
Bioorg Med Chem Lett 18: 66-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.012 BindingDB Entry DOI: 10.7270/Q2BV7GCQ |
More data for this Ligand-Target Pair | |