BDBM6878 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n::5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide

SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F

InChI Key InChIKey=ARIOBGGRZJITQX-UHFFFAOYSA-N

Data  24 IC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 6878   

TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  0.600nMpH: 8.0 T: 2°CAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  59nMAssay Description:Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  5.20E+3nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 2(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  32nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50: >1.00E+4nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor beta(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  1.60E+3nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta [7-25](Oryctolagus cuniculus (rabbit))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  140nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInsulin receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50: >1.00E+4nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform delta(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  2.80E+3nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  1.00E+3nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  8.90E+3nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Weill Cornell Medical College

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  32nMAssay Description:Inhibition of VEGFR2Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  140nMAssay Description:Inhibition of GSK3-betaChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  210nMAssay Description:Inhibition of human GSK3beta using Biotin-labeled GSP-2 peptide substrate after 90 mins in presence of [gamma33-P]ATP by scintillation proximity assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Comenius University In Bratislava

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  8.90nMAssay Description:Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
Comenius University In Bratislava

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  29nMAssay Description:Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyr...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  30nMAssay Description:Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  3nMAssay Description:Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  66nMAssay Description:Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  2nMAssay Description:Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM6878(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Affinity DataIC50:  0.5nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed