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3 similar compounds to monomer 50153715

Compile data set for download or QSAR
Wt: 212.0
BDBM50153712		Wt: 196.0
BDBM50153714		Wt: 340.1
BDBM50330437

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50153712,50153714,50330437   
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)		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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PubMed
 1.50E+4n/an/an/an/an/an/an/an/a



Paris-Sud University

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


(Helicobacter pylori)		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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Article
PubMed
 1.70E+4n/an/an/an/an/an/an/an/a



Paris-Sud University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109

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-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))		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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 2.10E+4n/an/an/an/an/an/an/an/a



Paris-Sud University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis zinc dependent class 2 Fba

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 class II


(Yersinia pestis)		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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UniProtKB/TrEMBL

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 5.50E+4n/an/an/an/an/an/an/an/a



Paris-Sud University

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis zinc dependent class 2 Fba expressed in Escherichia coli BL21(DE3)

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


(Candida albicans)		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

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UniProtKB/SwissProt

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PubMed
 8.50E+4n/an/an/an/an/an/an/an/a



Paris-Sud University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans zinc dependent class 2 Fba

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
1-deoxyxylulose-5-phosphate reductoisomerase


(Synechocystis sp. (strain PCC 6803))		BDBM50153714
PNG
(4S-hydroxypentan-2-one 5-phosphate)
Show SMILES CC(=O)C[C@H](O)COP([O-])([O-])=O
Show InChI InChI=1S/C5H11O6P/c1-4(6)2-5(7)3-11-12(8,9)10/h5,7H,2-3H2,1H3,(H2,8,9,10)/p-2/t5-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
 1.50E+5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase

Bioorg Med Chem Lett 14: 5309-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.023
BindingDB Entry DOI: 10.7270/Q25T3M75
More data for this
Ligand-Target Pair
1-deoxyxylulose-5-phosphate reductoisomerase


(Synechocystis sp. (strain PCC 6803))		BDBM50153712
PNG
(1-deoxy-L-ribulose 5-phosphate)
Show SMILES CC(=O)[C@@H](O)[C@@H](O)COP([O-])([O-])=O
Show InChI InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/p-2/t4-,5+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
 1.80E+5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase

Bioorg Med Chem Lett 14: 5309-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.023
BindingDB Entry DOI: 10.7270/Q25T3M75
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)		BDBM50153714
PNG
(4S-hydroxypentan-2-one 5-phosphate)
Show SMILES CC(=O)C[C@H](O)COP([O-])([O-])=O
Show InChI InChI=1S/C5H11O6P/c1-4(6)2-5(7)3-11-12(8,9)10/h5,7H,2-3H2,1H3,(H2,8,9,10)/p-2/t5-/m0/s1
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KEGG

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UniChem

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PubMed
 8.00E+5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli deoxyxylulose 5-phosphate reductoisomerase

Bioorg Med Chem Lett 14: 5309-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.023
BindingDB Entry DOI: 10.7270/Q25T3M75
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldoloase, glycosomal


(Trypanosoma brucei brucei)		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 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate aldolase expressed in Escherichia coli using FBP as substrate after 5 ...

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)		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
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KEGG

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CHEBI
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Article
PubMed
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