BDBM50082128 CHEMBL3422654

SMILES c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N

InChI Key InChIKey=COLOVWUHIINYEF-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50082128   

LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 575nMAssay 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)
LigandPNGBDBM50082128(CHEMBL3422654)
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)
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 3.00E+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)
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 5.11E+4nMAssay 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
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 2.69E+4nMAssay 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
TargetHistone-lysine N-methyltransferase NSD2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of full-length NSD2 (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of full-length DOT1L (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetArsenite methyltransferase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50082128(CHEMBL3422654)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human AS3MT using NaAsO2 as substrate preincubated for 30 minutes followed by substrate addition measured after 90 mins in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed