BDBM50362196 CHEMBL1938829
SMILES: OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2n1)C(F)(F)P(O)(O)=O
InChI Key: InChIKey=ARNPBLSVPATIMI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50362196 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)) | BDBM50362196
(CHEMBL1938829)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2n1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C28H22F3N4O8PS2/c29-24-11-19-5-6-20(32-25(19)12-23(24)28(30,31)44(38,39)40)14-35(13-17-1-3-18(4-2-17)26-16-45-34-33-26)46(41,42)22-9-7-21(8-10-22)43-15-27(36)37/h1-12,16H,13-15H2,(H,36,37)(H2,38,39,40) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description Inhibition of TCPTP |
Bioorg Med Chem Lett 22: 1111-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50362196
(CHEMBL1938829)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2n1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C28H22F3N4O8PS2/c29-24-11-19-5-6-20(32-25(19)12-23(24)28(30,31)44(38,39)40)14-35(13-17-1-3-18(4-2-17)26-16-45-34-33-26)46(41,42)22-9-7-21(8-10-22)43-15-27(36)37/h1-12,16H,13-15H2,(H,36,37)(H2,38,39,40) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay |
Bioorg Med Chem Lett 22: 1111-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05 |
More data for this Ligand-Target Pair | |