BDBM50082137 CHEMBL3422660

SMILES NCC(=O)Nc1ccc(Oc2ccc3[nH]cc(C#N)c3c2)cc1

InChI Key InChIKey=FTYQKBVNGALNLT-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082137   

Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50082137(CHEMBL3422660)Copy SMILESCopy InChI

Affinity DataIC50:  6.32E+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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50082137(CHEMBL3422660)Copy SMILESCopy InChI

Affinity DataIC50:  3.76E+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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50082137(CHEMBL3422660)Copy SMILESCopy InChI

Affinity DataIC50:  2.01E+3nMAssay 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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL