BDBM26057 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4H-1,2,4-triazol-3-ol::BI-78D3

SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1

InChI Key InChIKey=QFRLDZGQEZCCJZ-UHFFFAOYSA-N

Data  5 IC50  1 Kd  3 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26057   

TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Affinity DataKd:  8.10E+3nMAssay Description:Inhibition of wild-type JNK2 by isothermal calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 26057   

CellJNK2/JNK3(Homo sapiens (Human))
Burnham Institute For Medical Research

SyringePNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
ITC Datalogk: 1.23E+5
pH: 7.4 T: 25.00°C 
CellMitogen-Activated Protein Kinase 9 (JNK2) Mutant (R127A)(Homo sapiens (Human))
Burnham Institute For Medical Research

SyringePNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
ITC Datalogk: 6.80E+4
pH: 7.4 T: 25.00°C 
CellMitogen-Activated Protein Kinase 9 (JNK2) Mutant (C162S)(Homo sapiens (Human))
Burnham Institute For Medical Research

SyringePNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
ITC Datalogk: 1.96E+4
pH: 7.4 T: 25.00°C