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BDBM50046700 CHEMBL3310443

SMILES: CCCCOc1cc(OC)c(\C=C2/SC(=O)N(C(C)C)C2=O)cc1Br

InChI Key: InChIKey=XMYLXYYTSKWWAV-SXGWCWSVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046700   
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))
BDBM50046700
PNG
(CHEMBL3310443)
Show SMILES CCCCOc1cc(OC)c(\C=C2/SC(=O)N(C(C)C)C2=O)cc1Br
Show InChI InChI=1S/C18H22BrNO4S/c1-5-6-7-24-15-10-14(23-4)12(8-13(15)19)9-16-17(21)20(11(2)3)18(22)25-16/h8-11H,5-7H2,1-4H3/b16-9-
PDB
MMDB

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Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using pNPP substrate at 37 degC measured after 30 mins


Bioorg Med Chem Lett 24: 3337-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.099
BindingDB Entry DOI: 10.7270/Q29888N1
More data for this
Ligand-Target Pair