BDBM13336 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine::CHEMBL10::SB-203580::SB203580::cid_176155

SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

InChI Key InChIKey=CDMGBJANTYXAIV-UHFFFAOYSA-N

Data  3 KI  82 IC50  828 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 62 hits for monomerid = 13336   

TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKi:  57nMAssay Description:Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  290nMpH: 7.4 T: 2°CAssay Description:IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Mus musculus (mouse))
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  20nMpH: 7.0 T: 2°CAssay Description:UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  48nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Rattus norvegicus (rat))
University of Texas At Dallas

LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50: >1.00E+6nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Mus musculus (mouse))
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  75nMpH: 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 [G110A](Mus musculus (mouse))
Merck Research Laboratories

LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  37nMpH: 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 [G110D](Mus musculus (mouse))
Merck Research Laboratories

LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  56nMpH: 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(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  38nMAssay Description:The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  7.10E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  35nMpH: 7.5 T: 2°CAssay Description:Kinase assay using p38alpha MAP.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  39nMAssay Description:Inhibition of Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  20nMAssay Description:In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coliMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  20nMAssay Description:Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  20nMAssay Description:Inhibition of mitogen-activated protein kinase p38 alpha 2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  48nMAssay Description:Inhibitory concentration against mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of Mitogen-activated protein kinase p38More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  20nMAssay Description:Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  290nMAssay Description:Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  20nMAssay Description:Concentration required to inhibit human mitogen activated protein kinase p38 activity More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  10nMAssay Description:Inhibitory concentration against alpha mitogen activated protein kinase p38 activityMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  1.36E+5nMAssay Description:Inhibition of human Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  462nMAssay Description:Inhibition of mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  17nMAssay 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))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  38nMAssay Description:Inhibition of Mitogen-activated protein kinase 14 (P38 alpha) at 100 uM ATPMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  48nMAssay Description:Inhibitory concentration against p38 alpha MAP kinase (Experimental value)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  72nMAssay Description:Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-22.2kcal/mol More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  290nMAssay Description:Inhibitory activity against p38alpha MAPKMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  30nMAssay Description:Inhibition of p38alpha MAPK by non-radioactive immunosorbent assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  40nMAssay Description:Inhibition of p38alpha by Cherenkov countingMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  44nMAssay Description:Inhibition of p38alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  4.10nMAssay Description:Binding affinity to full-length GST-tagged p38alpha by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  15nMAssay Description:Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  1.23E+3nMAssay Description:Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS-induced TNF-alpha release by immunosorbent non-radioactive enzyme as...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK2 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  12nMAssay Description:Binding constant for p38-alpha kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ERK1 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  7.10E+3nMAssay Description:Binding constant for TGFBR1 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of MAP kinase p38alpha assessed as phosphorylation of ATF-2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  68nMAssay Description:Inhibition of p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  83nMAssay Description:Inhibition of LPS-induced p38-related TNF alpha release from human monocytesMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  273nMAssay Description:Inhibition of p38alpha MAP kinase (unknown origin) in presence of 300 uM ATPMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  48nMAssay Description:Inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATPMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  70nMAssay Description:Inhibition of p38alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  45nMAssay Description:Inhibition of p38-alpha MAPKMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for full-length ERK1More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  48nMAssay Description:Inhibition of MAPK14More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataKd:  7.10E+3nMAssay Description:Binding constant for TGFBR1 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  39nMAssay Description:Inhibition of human p38-alpha kinaseMore data for this Ligand-Target Pair