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BDBM50171098 (4-{(4-Benzoylamino-benzyl)-[4-(difluoro-phosphono-methyl)-benzyl]-sulfamoyl}-phenoxy)-acetic acid::CHEMBL198220

SMILES: OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2)cc1)Cc1ccc(cc1)C(F)(F)P(O)(O)=O

InChI Key: InChIKey=VTXUWEZRZAQYNG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171098   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50171098
PNG
((4-{(4-Benzoylamino-benzyl)-[4-(difluoro-phosphono...)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2)cc1)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C30H27F2N2O9PS/c31-30(32,44(38,39)40)24-10-6-21(7-11-24)18-34(45(41,42)27-16-14-26(15-17-27)43-20-28(35)36)19-22-8-12-25(13-9-22)33-29(37)23-4-2-1-3-5-23/h1-17H,18-20H2,(H,33,37)(H,35,36)(H2,38,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Affymax, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate


Bioorg Med Chem Lett 15: 4336-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.061
BindingDB Entry DOI: 10.7270/Q2M61JSK
More data for this
Ligand-Target Pair