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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 13530   

TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  350nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  350nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  2.55E+4nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  1.07E+5nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed