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::US20240139326, 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  357 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 15 hits for monomerid = 50357312   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  1.11E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  8.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human full length BTK using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate after 90 mins by microfluid mobility shift assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C8(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  14nMAssay Description:Inhibition of BTK in whole blood (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr by flow cytometric analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of BTK in human PBMCMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  14nMAssay Description:Inhibition of BTK in human WBCMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human PBMC assessed as suppression of BCR-induced CD69 expression on B cells pretreated f...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using FITC-AHA-E...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  14nMAssay Description:Inhibition of BTK in human whole bloodMore data for this Ligand-Target Pair