BDBM15244 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one::5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one::VX-745::VX745::cid_3038525

SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1

InChI Key InChIKey=VEPKQEUBKLEPRA-UHFFFAOYSA-N

Data  2 KI  44 IC50  802 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 15244   

TargetMitogen-activated protein kinase 14(Mus musculus (mouse))
Merck Research Laboratories

LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  0.800nMpH: 7.0 T: 2°CAssay Description:The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Mus musculus (mouse))
Merck Research Laboratories

LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  22nMAssay Description:Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd:  3.20nMAssay Description:Average Binding Constant for p38-alpha; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  10nMAssay Description:Inhibition of human recombinant p38alpha by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd:  2.80nMAssay Description:Binding constant for p38-alpha kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for TGFBR1 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  29nMAssay Description:In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd:  2.80nMAssay Description:Binding affinity to p38alpha (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  70nMAssay Description:Inhibition of p38alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for TGFBR1 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  29nMAssay Description:Inhibition of human p38-alpha kinaseMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of human p38-alpha kinase phosphorylationMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataKd:  2.80nMAssay Description:Binding constant for full-length p38-alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  45nMAssay Description:Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  150nMAssay Description:Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  180nMAssay Description:Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  9nMAssay Description:Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  51nMAssay Description:Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISAMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Affinity DataIC50:  10nMAssay Description:Antagonist activity at p38 MAPK alpha (unknown origin)More data for this Ligand-Target Pair