BDBM50425780 CHEMBL2316582

SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1

InChI Key InChIKey=TZKBVRDEOITLRB-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 5 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50425780   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataKd:  0.340nMAssay Description:Binding affinity to phosphorylated wild type ABL1 (unknown origin) after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataKd:  0.320nMAssay Description:Binding affinity to nonphosphorylated wild type ABL1 (unknown origin) after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataIC50:  110nMAssay Description:Inhibition of human recombinant CYP2C9 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataIC50:  990nMAssay Description:Inhibition of human recombinant CYP2C19 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataIC50:  0.340nMAssay Description:Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed