BDBM50457855 CHEMBL4211181

SMILES Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC

InChI Key InChIKey=WRONAJQPZWDYAR-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50457855   

TargetCytochrome P450 3A4(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50457855(CHEMBL4211181)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as decrease in midazolam 1-hydroxylation by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPhosphatidylinositol 4-kinase beta(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50457855(CHEMBL4211181)
Affinity DataIC50: 37nMAssay Description:Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treated human RPMI1788 cells-stimulated lymphocyte proliferation by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhosphatidylinositol 4-kinase beta(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50457855(CHEMBL4211181)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression system using PI lipid kinase substrate after 60 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50457855(CHEMBL4211181)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by cell based automated patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPhosphatidylinositol 4-kinase beta(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50457855(CHEMBL4211181)
Affinity DataIC50: 5nMAssay Description:Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)