BDBM50399407 CHEMBL2178284::MUT056399

SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F

InChI Key InChIKey=QUHARGDBJJUOEB-UHFFFAOYSA-N

Data  1 KI  5 IC50  1 EC50

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 3 hits for monomerid = 50399407   

LigandPNGBDBM50399407(CHEMBL2178284 | MUT056399)
Affinity DataIC50:  12nMAssay Description:Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rateMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50399407(CHEMBL2178284 | MUT056399)
Affinity DataIC50:  12nMAssay Description:Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50399407(CHEMBL2178284 | MUT056399)
Affinity DataIC50:  12nMAssay Description:Inhibition of Staphylococcus aureus FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rateMore data for this Ligand-Target Pair
In DepthDetails PubMed