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BDBM50376608 CHEMBL410332

SMILES: OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2oc(cc2c1)C(O)=O

InChI Key: InChIKey=PPETUXCYNMOPEY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376608   
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))
BDBM50376608
PNG
(CHEMBL410332)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2oc(cc2c1)C(O)=O
Show InChI InChI=1S/C27H21N3O8S2/c31-26(32)15-37-21-6-8-22(9-7-21)40(35,36)30(13-17-1-4-19(5-2-17)23-16-39-29-28-23)14-18-3-10-24-20(11-18)12-25(38-24)27(33)34/h1-12,16H,13-15H2,(H,31,32)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.91E+4n/an/an/an/an/an/a



Affymax, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 18: 2719-24 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX
More data for this
Ligand-Target Pair