BDBM50538439 CHEMBL4637502

SMILES COCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1

InChI Key InChIKey=QWKZREQFPCVBBG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50538439   

TargetCytochrome P450 3A4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50538439(CHEMBL4637502)
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes in presence of NADPH by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50538439(CHEMBL4637502)
Affinity DataIC50: 80nMAssay Description:Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50538439(CHEMBL4637502)
Affinity DataIC50: 0.650nMAssay Description:Inhibition of human ABL1 assessed as residual activity using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed