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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50311427   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50311427
PNG
(9-Ethoxymethyl-4-methyl-9-pyrolidinylmethyl-8, 9-d...)
Show SMILES CCOCC1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C21H25NO5/c1-3-25-12-21(11-22-8-4-5-9-22)13-26-16-7-6-15-14(2)10-17(23)27-19(15)18(16)20(21)24/h6-7,10H,3-5,8-9,11-13H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.27E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair