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Compile Data Set for Download or QSAR

Found 13 hits of ki for UniProtKB: P00883   
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-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50330437
PNG
(1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...)
Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli


J Med Chem 53: 7836-42 (2010)


Article DOI: 10.1021/jm1009814
BindingDB Entry DOI: 10.7270/Q2MG7PQC
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50330435
PNG
(4-(N-hydroxy-2-(phosphonooxy)acetamido)butyl dodec...)
Show SMILES CCCCCCCCCCCC(=O)OCCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C18H36NO8P/c1-2-3-4-5-6-7-8-9-10-13-18(21)26-15-12-11-14-19(22)17(20)16-27-28(23,24)25/h22H,2-16H2,1H3,(H2,23,24,25)
PDB
MMDB

KEGG

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B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.70E+4n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli


J Med Chem 53: 7836-42 (2010)


Article DOI: 10.1021/jm1009814
BindingDB Entry DOI: 10.7270/Q2MG7PQC
More data for this
Ligand-Target Pair
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
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KEGG

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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)
BDBM50330434
PNG
(4-(N-hydroxy-2-(phosphonooxy)acetamido)butyl hexan...)
Show SMILES CCCCCC(=O)OCCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C12H24NO8P/c1-2-3-4-7-12(15)20-9-6-5-8-13(16)11(14)10-21-22(17,18)19/h16H,2-10H2,1H3,(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.50E+5n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli


J Med Chem 53: 7836-42 (2010)


Article DOI: 10.1021/jm1009814
BindingDB Entry DOI: 10.7270/Q2MG7PQC
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
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50167776
PNG
((2-Hydroxycarbamoyl-ethyl)-phosphonic acid | 3-(hy...)
Show SMILES ONC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(4-6)1-2-10(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50330436
PNG
(2-(hydroxy(3-hydroxypropyl)amino)-2-oxoethyl hydro...)
Show SMILES OCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H12NO7P/c7-3-1-2-6(9)5(8)4-13-14(10,11)12/h7,9H,1-4H2,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+6n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli


J Med Chem 53: 7836-42 (2010)


Article DOI: 10.1021/jm1009814
BindingDB Entry DOI: 10.7270/Q2MG7PQC
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50175714
PNG
(2-(methylsulfonamido)-2-oxoethyl dihydrogen phosph...)
Show SMILES CS(=O)(=O)NC(=O)COP(O)(O)=O
Show InChI InChI=1S/C3H8NO7PS/c1-13(9,10)4-3(5)2-11-12(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50175713
PNG
(3-oxo-3-(phenylsulfonamido)propylphosphonic acid |...)
Show SMILES OP(O)(=O)CCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H12NO6PS/c11-9(6-7-17(12,13)14)10-18(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50175712
PNG
(2-oxo-2-(phenylsulfonamido)ethyl dihydrogen phosph...)
Show SMILES OP(O)(=O)OCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H10NO7PS/c10-8(6-16-17(11,12)13)9-18(14,15)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H2,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50175715
PNG
(3-(methylsulfonamido)-3-oxopropylphosphonic acid |...)
Show SMILES CS(=O)(=O)NC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C4H10NO6PS/c1-13(10,11)5-4(6)2-3-12(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair