BDBM50228031 CHEMBL254513::N-{1-(1H-imidazol-2-yl)-2-[4-(1,1,3-trioxo-1lambda6-isothiazolidin-5-yl)-phenyl]-ethyl}-3-trifluoromethyl-benzenesulfonamide
SMILES: FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc[nH]1
InChI Key: InChIKey=WHKVCJHBYDWODM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50228031 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)) | BDBM50228031
(CHEMBL254513 | N-{1-(1H-imidazol-2-yl)-2-[4-(1,1,3...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc[nH]1 |w:22.23,14.14| Show InChI InChI=1S/C21H19F3N4O5S2/c22-21(23,24)15-2-1-3-16(11-15)34(30,31)27-17(20-25-8-9-26-20)10-13-4-6-14(7-5-13)18-12-19(29)28-35(18,32)33/h1-9,11,17-18,27H,10,12H2,(H,25,26)(H,28,29) | 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)) | BDBM50228031
(CHEMBL254513 | N-{1-(1H-imidazol-2-yl)-2-[4-(1,1,3...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc[nH]1 |w:22.23,14.14| Show InChI InChI=1S/C21H19F3N4O5S2/c22-21(23,24)15-2-1-3-16(11-15)34(30,31)27-17(20-25-8-9-26-20)10-13-4-6-14(7-5-13)18-12-19(29)28-35(18,32)33/h1-9,11,17-18,27H,10,12H2,(H,25,26)(H,28,29) | 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 | 240 | 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 | |