BDBM13530 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide::CHEMBL941::Gleevec::Imatinib::Imatinib, 21::N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide::STI-571::STI571::US10906896, Cpd imatinib::US11649218, Example Imatinib::US11725005, Compound imatinib::US9255107, Imatinib::cid_5291::imatinib-CD3::med.21724, Compound 6

SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

InChI Key InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N

Data  62 KI  225 IC50  842 Kd  9 EC50

PDB links: 26 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 = 13530   

TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  799nMAssay Description:Inhibition of BCR/Abl M351T mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 h...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  8.78E+3nMAssay Description:Inhibition of BCR/Abl Y253F mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 h...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  364nMAssay Description:Inhibition of BCR/Abl F317I mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 h...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  144nMAssay Description:Inhibition of wild type BCR/Abl (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs ...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  487nMAssay Description:Inhibition of BCR/Abl Q252H mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 h...More data for this Ligand-Target Pair