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
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 82 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 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(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 DataIC50:  35nMpH: 7.5 T: 2°CAssay Description:Kinase assay using p38alpha MAP.More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of Prostaglandin G/H synthase 1 at 5 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 11(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  78nMAssay Description:Inhibition of Mitogen-activated protein kinase p38 betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  1.92E+3nMAssay Description:Inhibition of c-Jun N-terminal kinase 2-beta 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  370nMAssay Description:Inhibitino of RAF kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  290nMAssay Description:Inhibition of c-Jun N-terminal kinase 2-alpha 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  3.45E+3nMAssay Description:Inhibition of p56 Lck tyrosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  9.60E+4nMAssay Description:Inhibition of EGF receptor kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  330nMAssay Description:Inhibition of human c-Raf kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of c-Jun N-terminal kinase 2-alpha 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of Activin like receptor kinase 5, TGF beta type I receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of Transforming growth factor beta-1 receptor (TbetaRI)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibitory concentration against Epidermal growth factor receptor tyrosine kinase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetEphrin type-B receptor 2(Homo sapiens (Human))
Protana

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of EPH receptor B2 using ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  135nMAssay Description:Inhibition of human cyclin G associated kinase at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human RAF kinase at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 11(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  500nMAssay Description:Inhibition of Mitogen-activated protein kinase 11 (P38 beta) at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition v-src sarcoma viral oncogene homolog (Src) at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetCasein kinase I isoform delta(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  124nMAssay Description:Inhibition of human casein kinase 1 delta at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human mitogen-activated protein kinase 9 (JNK 2) at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  16nMAssay Description:Inhibition of human receptor-interacting serine-threonine kinase 2 (RIPK2) at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 10(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  790nMAssay Description:Inhibition of JNK3 by non-radioactive immunosorbent assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiopoietin-1 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of Tie2 kinase by autophosphorylation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCasein kinase I isoform delta(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13336(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Affinity DataIC50:  120nMAssay Description:Inhibition of CK1delta by Cherenkov counting in presence of 20 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed