BDBM50082135 CHEMBL3422658

SMILES c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN

InChI Key InChIKey=RVTAACJVJXEMFR-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 = 50082135   

LigandPNGBDBM50082135(CHEMBL3422658)
Affinity DataIC50: 1.48E+3nMAssay Description:Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed
LigandPNGBDBM50082135(CHEMBL3422658)
Affinity DataIC50: 104nMAssay Description:Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50082135(CHEMBL3422658)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50082135(CHEMBL3422658)
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50082135(CHEMBL3422658)
Affinity DataIC50: 2.66E+3nMAssay Description:Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed