BDBM50357312 IBRUTINIB::PCI-32765::US10124003, Ref. Ex. Compound 1::US10711006, Compound Ibrutinib::US10793575, Example ibrutinib::US10835536, Ref. Ex. Comp 1::US10919899, Ibrutinib::US11078206, Example Ibrutinib::US11186578, Example Ibrutinib::US11339167, Example Ibrutinib::US11407754, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US9108973, Ref 1::US9181263, 1::US9278100, 1

SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N

Data  3 KI  356 IC50  18 Kd  3 EC50

PDB links: 7 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 24 hits for monomerid = 50357312   

TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11.7nMAssay Description:IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11.7nMAssay Description:IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11.7nMAssay Description:IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11.7nMAssay Description:IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  75.3nMAssay Description:In vitro activity in inhibiting ITK kinase was determined similar to that in respect of BTK kinase.The inhibitory activity of the compound of Example...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant human ITK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  186nMAssay Description:Preparation of Compounds to be Tested:1) Using DMSO to prepare 50× compound stock solutions (same as the stock solution in Example 34) for later use;...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  57nMAssay Description:Binding affinity to DNA-tagged recombinant ITK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  77nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as reduction in PLCgamma1 phosphorylation at Y783 residues preincubated for 2 hrs followed by H2O2 a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  3nMAssay Description:Inhibition of ITK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  3nMAssay Description:Inhibition of ITK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  77nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as reduction in PLCgamma1 phosphorylation at Y783 residues preincubated for 2 hrs followed by H2O2 a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  99nMAssay Description:Inhibition of ITK (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  168nMAssay Description:Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  5nMAssay Description:Inhibition of full-length N-terminal GST-tagged ITK (2 to 620 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of human ITK using poly-Glu-Tyr (4:1) as substrate incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  179nMAssay Description:Inhibition of ITK phosphorylation in human Jurkat cells incubated for 4 hrs by Western blot assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  63nMAssay Description:Binding affinity to ITK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  34nMAssay Description:Inhibition of ITK (unknown origin) by lanthascreen Tb kinase activity assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of ITK (unknown origin) using Blk/Lyntide as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs in pr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pharmacyclics

US Patent
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  11nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed