BDBM50362183 CHEMBL1938816
SMILES: OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(c(F)c1)C(F)(F)P(O)(O)=O
InChI Key: InChIKey=YLMTWYKRXNHYEX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50362183 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)) | BDBM50362183
(CHEMBL1938816)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(c(F)c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C25H21F3N3O8PS2/c26-22-11-17(3-10-21(22)25(27,28)40(34,35)36)13-31(12-16-1-4-18(5-2-16)23-15-41-30-29-23)42(37,38)20-8-6-19(7-9-20)39-14-24(32)33/h1-11,15H,12-14H2,(H,32,33)(H2,34,35,36) | 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)) | BDBM50362183
(CHEMBL1938816)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(c(F)c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C25H21F3N3O8PS2/c26-22-11-17(3-10-21(22)25(27,28)40(34,35)36)13-31(12-16-1-4-18(5-2-16)23-15-41-30-29-23)42(37,38)20-8-6-19(7-9-20)39-14-24(32)33/h1-11,15H,12-14H2,(H,32,33)(H2,34,35,36) | 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 | 35 | 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 | |
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