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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 or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 237136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
PNG
(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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 1.70E+4 6.94E+3n/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay 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...


US Patent US9394254 (2016)


BindingDB Entry DOI: 10.7270/Q2251H3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
PNG
(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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay 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...


US Patent US9394254 (2016)


BindingDB Entry DOI: 10.7270/Q2251H3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 237136
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Fructose-1,6-bisphosphate aldolase (FBA)

(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
JPEG
(US9394254, 5 (HCA))
GoogleScholar
PDB
PC cid
PC sid
PDB
n/an/a-6.86n/an/an/a



The University of Denver and Regis University

US Patent




US Patent US9394254 (2016)