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Compile Data Set for Download or QSAR

Found 13 hits of ic50 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)
BDBM50380323
PNG
(CHEMBL2017785)
Show SMILES CO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C7H18O12P2/c1-17-5(3-19-21(14,15)16)7(10)6(9)4(8)2-18-20(11,12)13/h4-10H,2-3H2,1H3,(H2,11,12,13)(H2,14,15,16)/t4-,5-,6-,7-/m1/s1
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380322
PNG
(CHEMBL258208)
Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380328
PNG
(CHEMBL2017790)
Show SMILES CCCCC[C@@](O)(COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C11H26O12P2/c1-2-3-4-5-11(15,7-23-25(19,20)21)10(14)9(13)8(12)6-22-24(16,17)18/h8-10,12-15H,2-7H2,1H3,(H2,16,17,18)(H2,19,20,21)/t8-,9-,10+,11-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380326
PNG
(CHEMBL2017788)
Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)OCCCc1ccccc1
Show InChI InChI=1S/C15H26O12P2/c16-12(9-26-28(19,20)21)14(17)15(18)13(10-27-29(22,23)24)25-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-18H,4,7-10H2,(H2,19,20,21)(H2,22,23,24)/t12-,13-,14-,15-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380324
PNG
(CHEMBL2017786)
Show SMILES CCO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C8H20O12P2/c1-2-18-6(4-20-22(15,16)17)8(11)7(10)5(9)3-19-21(12,13)14/h5-11H,2-4H2,1H3,(H2,12,13,14)(H2,15,16,17)/t5-,6-,7-,8-/m1/s1
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PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50320385
PNG
((4aR,6aR,12bS)-4,4,6a,12b-Tetramethyl-1,4a,5,6,6a,...)
Show SMILES C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1Cc1cc3ccccc3n21
Show InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19?,22-,23+/m0/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of Yaound£ I

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle aldolase


Bioorg Med Chem Lett 20: 3495-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.145
BindingDB Entry DOI: 10.7270/Q2HH6K8B
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50330433
PNG
(4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...)
Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.12E+5n/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)
BDBM50380329
PNG
(CHEMBL2017791)
Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@](O)(CCCc1ccccc1)COP(O)(O)=O
Show InChI InChI=1S/C15H26O12P2/c16-12(9-26-28(20,21)22)13(17)14(18)15(19,10-27-29(23,24)25)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14,16-19H,4,7-10H2,(H2,20,21,22)(H2,23,24,25)/t12-,13-,14+,15-/m1/s1
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n/an/a 1.37E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50320386
PNG
(3-O-acetylgreenwayodendrin | CHEMBL1083629)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@H]2C1(C)C
Show InChI InChI=1S/C25H33NO2/c1-16(27)28-22-11-12-24(4)20(23(22,2)3)10-13-25(5)21(24)15-18-14-17-8-6-7-9-19(17)26(18)25/h6-9,14,20-22H,10-13,15H2,1-5H3/t20-,21+,22-,24-,25+/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Yaound£ I

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle aldolase


Bioorg Med Chem Lett 20: 3495-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.145
BindingDB Entry DOI: 10.7270/Q2HH6K8B
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380325
PNG
(CHEMBL2017787)
Show SMILES CCCCCO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C11H26O12P2/c1-2-3-4-5-21-9(7-23-25(18,19)20)11(14)10(13)8(12)6-22-24(15,16)17/h8-14H,2-7H2,1H3,(H2,15,16,17)(H2,18,19,20)/t8-,9-,10-,11-/m1/s1
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PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50380327
PNG
(CHEMBL2017789)
Show SMILES CC[C@@](O)(COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C8H20O12P2/c1-2-8(12,4-20-22(16,17)18)7(11)6(10)5(9)3-19-21(13,14)15/h5-7,9-12H,2-4H2,1H3,(H2,13,14,15)(H2,16,17,18)/t5-,6-,7+,8-/m1/s1
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PubMed
n/an/a 2.44E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry


ACS Med Chem Lett 2: 804-808 (2011)


Article DOI: 10.1021/ml200129s
BindingDB Entry DOI: 10.7270/Q28S4QXB
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50320387
PNG
(CHEMBL1086376 | polyveoline)
Show SMILES C[C@@]12CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]1C[C@@H]1Nc3ccccc3[C@H]21
Show InChI InChI=1S/C23H33NO/c1-21(2)17-9-11-23(4)18(22(17,3)12-10-19(21)25)13-16-20(23)14-7-5-6-8-15(14)24-16/h5-8,16-20,24-25H,9-13H2,1-4H3/t16-,17-,18-,19+,20-,22-,23+/m0/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Yaound£ I

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle aldolase


Bioorg Med Chem Lett 20: 3495-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.145
BindingDB Entry DOI: 10.7270/Q2HH6K8B
More data for this
Ligand-Target Pair