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BDBM124219 ({2-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromophenyl}methyl)-2-(1H-1,2,3-benzotriazol-1-yl)-3-oxo-3-phenylpropyl]-6-bromoquinolin-7-yl}difluoromethyl)phosphonic acid (10m)

SMILES: NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3n2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br

InChI Key: InChIKey=ZFLBXLZTPCCXGA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124219   
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


(Homo sapiens (Human))		BDBM124219
PNG
(({2-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...)
Show SMILES NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3n2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C33H24Br2F4N5O5PS/c34-25-14-19(10-13-23(25)33(38,39)51(40)49)17-31(30(45)20-6-2-1-3-7-20,44-29-9-5-4-8-27(29)42-43-44)18-22-12-11-21-15-26(35)24(16-28(21)41-22)32(36,37)50(46,47)48/h1-16H,17-18,40H2,(H2,46,47,48)
PDB
MMDB

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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair