Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase, glycosomal'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Fructose-bisphosphate aldolase, glycosomal (Trypanosoma brucei brucei)	BDBM50183272 (5-formyl-6-hydroxy-2-naphthyl di-sodium phosphate ...) Show SMILES Oc1ccc2cc(OP(O)(O)=O)ccc2c1C=O Show InChI InChI=1S/C11H9O6P/c12-6-10-9-3-2-8(17-18(14,15)16)5-7(9)1-4-11(10)13/h1-6,13H,(H2,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei class1 Aldolase				J Med Chem 49: 1499-502 (2006) Article DOI: 10.1021/jm050237b BindingDB Entry DOI: 10.7270/Q2MS3SCQ
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase, glycosomal (Trypanosoma brucei brucei)	BDBM50380323 (CHEMBL2017785) Show SMILES CO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380322 (CHEMBL258208) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50330437 (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 |r| 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380328 (CHEMBL2017790) Show SMILES CCCCC[C@@](O)(COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380326 (CHEMBL2017788) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)OCCCc1ccccc1 |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380324 (CHEMBL2017786) Show SMILES CCO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380329 (CHEMBL2017791) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@](O)(CCCc1ccccc1)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380325 (CHEMBL2017787) Show SMILES CCCCCO[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/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, glycosomal (Trypanosoma brucei brucei)	BDBM50380327 (CHEMBL2017789) Show SMILES CC[C@@](O)(COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/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