BDBM50362195 CHEMBL1938828
SMILES: OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2c1)C(F)(F)P(O)(O)=O
InChI Key: InChIKey=SSOMGKXRFNKWLO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50362195 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)) | BDBM50362195
(CHEMBL1938828)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C29H23F3N3O8PS2/c30-26-13-21-6-3-19(11-22(21)12-25(26)29(31,32)44(38,39)40)15-35(14-18-1-4-20(5-2-18)27-17-45-34-33-27)46(41,42)24-9-7-23(8-10-24)43-16-28(36)37/h1-13,17H,14-16H2,(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 | 870 | 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)) | BDBM50362195
(CHEMBL1938828)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C29H23F3N3O8PS2/c30-26-13-21-6-3-19(11-22(21)12-25(26)29(31,32)44(38,39)40)15-35(14-18-1-4-20(5-2-18)27-17-45-34-33-27)46(41,42)24-9-7-23(8-10-24)43-16-28(36)37/h1-13,17H,14-16H2,(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 | 9 | 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 | |