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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50274942'   
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))
BDBM50274942
PNG
((2S)-3',4',5,7-tetrahydroxy-2',2'-dimethyl-8'-(3-m...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2-[#6](-[#8])-[#6](-[#8])C([#6])([#6])[#8]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O7/c1-12(2)5-6-13-7-14(8-16-22(29)24(30)25(3,4)32-23(13)16)19-11-18(28)21-17(27)9-15(26)10-20(21)31-19/h5,7-10,19,22,24,26-27,29-30H,6,11H2,1-4H3/t19-,22?,24?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 16: 10356-62 (2008)


Article DOI: 10.1016/j.bmc.2008.10.012
BindingDB Entry DOI: 10.7270/Q251404T
More data for this
Ligand-Target Pair