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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50357312   

TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  66nMAssay Description:Inhibition of BTK T474M mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  0.720nMAssay Description:Inhibition of His-tagged full-length recombinant wild-type human BTK (Ala2 to Ser659 residues) expressed in baculovirus infected insect cells incubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of BTK C481S mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by Microf...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  23nMAssay Description:Inhibition of BTK C481R mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Affinity DataIC50:  5.60nMAssay Description:Inhibition of BTK T474I mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair