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

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 26057   

TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Burnham Institute for Medical Research

LigandPNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataIC50: 500nMpH: 7.8 T: 2°CAssay Description:Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Burnham Institute for Medical Research

LigandPNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataIC50: 280nMpH: 7.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Burnham Institute for Medical Research

LigandPNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataIC50: 500nMAssay Description:Inhibition of JNK1More data for this Ligand-Target Pair
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...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataKd:  8.10E+3nMAssay Description:Inhibition of wild-type JNK2 by isothermal calorimetryMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Burnham Institute for Medical Research

LigandPNGBDBM26057(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataIC50: 280nMAssay Description:Inhibition of JNK1 by TR-FRET assayMore data for this Ligand-Target Pair
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...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
Affinity DataIC50: 500nMAssay Description:Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assayMore data for this Ligand-Target Pair

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