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SMILES: [#6]-[#8]-c1cc(-[#8])c(cc1-[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#8])[#6]-[#8]-c2cc(-[#8])ccc2-[#6]1=O

InChI Key: InChIKey=YKWUEYRKTBAEFM-OAQYLSRUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349931   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50349931
PNG
(CHEMBL1811971)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(cc1-[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#8])[#6]-[#8]-c2cc(-[#8])ccc2-[#6]1=O |r|
Show InChI InChI=1S/C21H22O6/c1-12(2)4-5-13-8-16(17(23)10-18(13)26-3)21(25)11-27-19-9-14(22)6-7-15(19)20(21)24/h4,6-10,22-23,25H,5,11H2,1-3H3/t21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair