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
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50357312   

TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  0.75nMAssay Description:Binding affinity to ERBB2 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  0.910nMAssay Description:Binding affinity to ERBB4 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  0.560nMAssay Description:Binding affinity to BLK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  1.40nMAssay Description:Binding affinity to BMX (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  0.640nMAssay Description:Binding affinity to BTK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  3.90nMAssay Description:Binding affinity to EGFR (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Biogen

Curated by ChEMBL
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 JAK3(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  21nMAssay Description:Binding affinity to JAK3 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  1nMAssay Description:Binding affinity to TEC (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Biogen

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKd:  0.620nMAssay Description:Binding affinity to TXK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed