BDBM237136 US9394254, 5 (HCA)

SMILES OC(=O)c1ccc2cccc(O)c2n1

InChI Key InChIKey=UHBIKXOBLZWFKM-UHFFFAOYSA-N

Data  2 IC50  1 Kd  1 ITC

PDB links: 2 PDB IDs match this monomer.

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 2 hits for monomerid = 237136   

TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
The University of Denver and Regis University

US Patent
LigandPNGBDBM237136(US9394254, 5 (HCA))
Show SMILES OC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
Affinity DataIC50: 1.70E+4nM Kd:  6.94E+3nMAssay Description:Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
The University of Denver and Regis University

US Patent
LigandPNGBDBM237136(US9394254, 5 (HCA))
Show SMILES OC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
Affinity DataIC50: 1.40E+4nMAssay Description:Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 237136   

CellFructose-1,6-bisphosphate aldolase (FBA)(Mycobacterium tuberculosis (strain H37Rv))
The University of Denver and Regis University

US Patent
SyringePNGBDBM237136(US9394254, 5 (HCA))
ITC DataΔH°: -6.86kcal/mole