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 11 hits for monomerid = 50357312   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system using Tyr 04 peptide as substrate p...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.430nMAssay Description:Inhibition of His-tagged recombinant human His-tagged full length BTK expressed in baculovirus expression system using Tyr01 peptide as substrate pre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of His-tagged recombinant human TEC expressed in baculovirus expression system preincubated for 1 hr by Z'lyte assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of His-tagged recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
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 TXK(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  2nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged TXK (260 to 527 residues) expressed in baculovirus expression system using tyrosine-6 peptide a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  6.40nMAssay Description:Inhibition of His-tagged human recombinant ERBB2 (676 to 1255 residues) expressed in baculovirus expression system using Tyr 06 as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ERBB4 catalytic domain (708 to 993 residues) expressed in baculovirus expression system using t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  32nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using tyrosine-6 p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataEC50:  49nMAssay Description:Inhibition of EGFR phosphorylation in human A431 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of recombinant full length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed