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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 = 'BDBM50224548'   
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))
BDBM50224548
PNG
(2-(5-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)e...)
Show SMILES Cc1nc(sc1CCOc1ccc2n(COCC[Si](C)(C)C)cc(c2c1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1 |w:26.29|
Show InChI InChI=1S/C29H32ClF3N2O5SSi/c1-18-25(41-26(34-18)19-5-7-20(30)8-6-19)11-12-40-21-9-10-24-22(15-21)23(28(38,27(36)37)29(31,32)33)16-35(24)17-39-13-14-42(2,3)4/h5-10,15-16,38H,11-14,17H2,1-4H3,(H,36,37)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Sf9 cells


Bioorg Med Chem Lett 17: 6579-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.069
BindingDB Entry DOI: 10.7270/Q2W37W1K
More data for this
Ligand-Target Pair