BDBM50325999 3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide::3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide::CHEMBL483847::US11649218, Example GNF-2::[3-(6)-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzamide]

SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1

InChI Key InChIKey=WEVYNIUIFUYDGI-UHFFFAOYSA-N

Data  7 IC50  1 Kd  1 EC50

PDB links: 1 PDB ID matches 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 9 hits for monomerid = 50325999   

TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  267nMAssay Description:Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISAMore data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataKd:  92nMAssay Description:Inhibition of Bcr-Abl in mouse BA/F3 cellsMore data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataEC50:  140nMAssay Description:Inhibition of Bcr-Abl in mouse BA/F3 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  935nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  9nMAssay Description:Inhibition of recombinant human c-ABL SH3/SH2/SH1 domain (46 to 531 residues) expressed in sf9 insect cells after 30 mins in presence of [gamma-32P]A...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  267nMAssay Description:Inhibition of wild-type BCR-ABL (unknown origin) expressed in mouse Ba/F3 cells as cell growth inhibition after 48 hrs by MTT assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50:  273nMAssay Description:Inhibition of Abl (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human c-ABL SH1 domain expressed in sf9 insect cells after 30 mins in presence of [gamma-32P]ATP by autoradiographyMore data for this Ligand-Target Pair