null

SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12

InChI Key InChIKey=MSVRQAUNRZMPBR-UHFFFAOYSA-N

  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 8 hits for monomerid = 50082133   

Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 9.18E+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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DQBPubMed
Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 514nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DQBPubMed
Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DQBPubMed
TargetHistone-lysine N-methyltransferase NSD2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8HKDPubMed
Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DQBPubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 9.90E+4nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8HKDPubMed
TargetArsenite methyltransferase(Homo sapiens)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8HKDPubMed
Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50082133(CHEMBL3422652)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DQBPubMed