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BDBM14266 4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid::Monocyclic thiophene analog 35

SMILES: CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=CIJWJTCAZDLUFG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14266   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14266
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-13(6-8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)