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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM50219581'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50219581
PNG
(5-(3-(1-(benzylsulfonyl)piperidin-4-yloxy)phenyl)-...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C25H24BrNO8S2/c26-21-22(34-14-20(28)29)24(25(30)31)36-23(21)17-7-4-8-19(13-17)35-18-9-11-27(12-10-18)37(32,33)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,28,29)(H,30,31)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
24n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair