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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50034588   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50364829
PNG
(CHEMBL1952347)
Show SMILES ON(CCCCC(C(O)=O)C([O-])=O)C(=O)COP(O)([O-])=O
Show InChI InChI=1S/C9H16NO10P/c11-7(5-20-21(17,18)19)10(16)4-2-1-3-6(8(12)13)9(14)15/h6,16H,1-5H2,(H,12,13)(H,14,15)(H2,17,18,19)/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.57E+5n/an/an/an/an/an/an/an/a



Univ. Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA-1


Bioorg Med Chem 20: 1511-20 (2012)


Article DOI: 10.1016/j.bmc.2011.12.050
BindingDB Entry DOI: 10.7270/Q2X067HW
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50364830
PNG
(CHEMBL1952348)
Show SMILES ON(CCCCOP(O)([O-])=O)C(=O)CC(C(O)=O)C([O-])=O
Show InChI InChI=1S/C9H16NO10P/c11-7(5-6(8(12)13)9(14)15)10(16)3-1-2-4-20-21(17,18)19/h6,16H,1-5H2,(H,12,13)(H,14,15)(H2,17,18,19)/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



Univ. Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA-1


Bioorg Med Chem 20: 1511-20 (2012)


Article DOI: 10.1016/j.bmc.2011.12.050
BindingDB Entry DOI: 10.7270/Q2X067HW
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50364831
PNG
(CHEMBL1952349)
Show SMILES OCC(=O)N(O)CCCCOP(O)([O-])=O
Show InChI InChI=1S/C6H14NO7P/c8-5-6(9)7(10)3-1-2-4-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Univ. Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA-1


Bioorg Med Chem 20: 1511-20 (2012)


Article DOI: 10.1016/j.bmc.2011.12.050
BindingDB Entry DOI: 10.7270/Q2X067HW
More data for this
Ligand-Target Pair