BDBM26198 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one::CHEMBL21156::Compound # 2::Jak Inhibitor 1::PDK1 inhibitor, 1::Tetracyclic Pyridone, 1

SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

InChI Key InChIKey=VNDWQCSOSCCWIP-UHFFFAOYSA-N

Data  35 IC50  1 EC50

PDB links: 6 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 36 hits for monomerid = 26198   

TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  5nMpH: 7.5 T: 2°CAssay Description:An ELISA assay was used to determine the ability of inhibitor to inhibit JAK3 RTK activity. The compounds were incubated with enzyme, 10 uM ATP, and ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFibroblast growth factor receptor 1/2/3/4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.48E+3nMAssay Description:Inhibition of Fibroblast growth factor receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
University Of Luxembourg

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  5.20nMpH: 7.5 T: 2°CAssay Description:Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
University Of Luxembourg

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  4.5nMpH: 7.5 T: 2°CAssay Description:Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  41nMpH: 7.5 T: 2°CAssay Description:Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataEC50:  1nMAssay Description:Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  20nMAssay Description:1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  28nMAssay Description:384-Well TR-Fret assay using AKT-tide peptide substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  690nMAssay Description:Inhibition of Vascular endothelial growth factor receptor 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of protein kinase C alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase CSK(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of Tyrosine-protein kinase CSKMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase HCK(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  7.70E+3nMAssay Description:Inhibition of protein kinase HckMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1nMAssay Description:Inhibition of Tyrosine kinase 2 kinaseMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  15nMAssay Description:Inhibition of murine Jak 1 protein kinaseMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of Vascular endothelial growth factor receptor 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFibroblast growth factor receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  940nMAssay Description:Inhibitin of Fibroblast growth factor receptor 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50: >8.00E+3nMAssay Description:Inhibition of p56 Lck tyrosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.52E+3nMAssay Description:Inhibition of Vascular endothelial growth factor receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50: >8.00E+3nMAssay Description:Inhibition of Src protein tryrosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
University Of Luxembourg

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1nMAssay Description:Inhibition of protein kinase Jak 2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  5nMAssay Description:Inhibition of protein kinase Jak 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of protein kinase RafMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  300nMAssay Description:Inhibition of I-kappa-B kinase 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiopoietin-1 receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of Tek kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  500nMAssay Description:Inhibition of protein kinase FynMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of cyclin dependent kinase 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
University Of Luxembourg

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1nMAssay Description:Inhibition of JAK2Checked by AuthorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  5nMAssay Description:Inhibition of JAK3Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1nMAssay Description:Inhibition of Tyk2Checked by AuthorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  15nMAssay Description:Inhibition of mouse JAK1Checked by AuthorMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1/3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.78E+3nMAssay Description:Inhibition of p56 Lck tyrosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of Platelet-derived growth factor receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1/2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  160nMAssay Description:Inhibition of mitogen-activated protein kinase ERKMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  1.49E+3nMAssay Description:Inhibition of Platelet-derived growth factor receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50: >8.00E+3nMAssay Description:Inhibition of p56 Lck tyrosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26198(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Affinity DataIC50:  7nMpH: 7.5 T: 2°CAssay Description:Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...More data for this Ligand-Target Pair