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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50219587   
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))
BDBM50219587
PNG
(4-bromo-3-carboxymethoxy-5-(3-cyclopentylaminophen...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCCC2)c1
Show InChI InChI=1S/C18H18BrNO5S/c19-14-15(25-9-13(21)22)17(18(23)24)26-16(14)10-4-3-7-12(8-10)20-11-5-1-2-6-11/h3-4,7-8,11,20H,1-2,5-6,9H2,(H,21,22)(H,23,24)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
390n/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
3D
3D Structure (docked)