Compile Data Set for Download or QSAR
Found 275 Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase'
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330433(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)
Affinity DataKi:  3nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330433(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)
Affinity DataKi:  3.25nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Escherichia coli (strain K12))
Université Paul Sabatier

Curated by ChEMBL
LigandPNGBDBM50167777(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)
Affinity DataKi:  10nMAssay Description:Inhibitory activity against class II FBP aldolase from Escherichia coliMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Helicobacter pylori)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330438(3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...)
Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
Affinity DataKi:  13nMAssay Description:Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330438(3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...)
Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
Affinity DataKi:  13nMAssay Description:Inhibition of Mycobacterium tuberculosis zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330436(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)
Affinity DataKi:  170nMAssay Description:Inhibition of Mycobacterium tuberculosis zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330438(3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...)
Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
Affinity DataKi:  200nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330434(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)
Affinity DataKi:  276nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330434(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)
Affinity DataKi:  280nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330439(2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydr...)
Show SMILES OCCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C6H14NO7P/c8-4-2-1-3-7(10)6(9)5-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13)
Affinity DataKi:  297nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330439(2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydr...)
Show SMILES OCCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C6H14NO7P/c8-4-2-1-3-7(10)6(9)5-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13)
Affinity DataKi:  300nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330436(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)
Affinity DataKi:  400nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531933(CHEMBL4448356)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)
Affinity DataKi:  630nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  650nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330435(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)
Affinity DataKi:  800nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Candida albicans)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330435(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)
Affinity DataKi:  815nMAssay Description:Inhibition of Candida albicans zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM75654(4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinoca...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)
Affinity DataKi:  880nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase A(Oryctolagus cuniculus)
Université Paul Sabatier

Curated by ChEMBL
LigandPNGBDBM50167777(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)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibitory activity against class I FBP aldolase from rabbitMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531934(CHEMBL4520626)
Show SMILES Oc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H13N3O4S/c19-10-6-7-11(12(20)8-10)14(22)17-18-15(23)16-13(21)9-4-2-1-3-5-9/h1-8,19-20H,(H,17,22)(H2,16,18,21,23)
Affinity DataKi:  1.25E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531939(CHEMBL1424907)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H12N4O4S/c20-13(10-5-2-1-3-6-10)16-15(24)18-17-14(21)11-7-4-8-12(9-11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)
Affinity DataKi:  1.87E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531930(CHEMBL4450278)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C20H15N3O4S/c24-18-12-16(23(26)27)10-11-17(18)21-20(28)22-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,22,25,28)
Affinity DataKi:  2.50E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM58344(MLS001211194 | N-[N'-(4-Nitro-benzoyl)-hydrazi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H12N4O4S/c20-13(10-4-2-1-3-5-10)16-15(24)18-17-14(21)11-6-8-12(9-7-11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531935(CHEMBL4562397)
Show SMILES Brc1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H12BrN3O2S/c16-12-8-4-7-11(9-12)14(21)18-19-15(22)17-13(20)10-5-2-1-3-6-10/h1-9H,(H,18,21)(H2,17,19,20,22)
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531936(CHEMBL4566399)
Show SMILES Fc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H12FN3O2S/c16-12-8-6-11(7-9-12)14(21)18-19-15(22)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,18,21)(H2,17,19,20,22)
Affinity DataKi:  3.50E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  3.90E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  3.90E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S50A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 T278A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  4.60E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase(Helicobacter pylori)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330436(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)
Affinity DataKi:  4.70E+3nMAssay Description:Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531940(CHEMBL4469784)
Show SMILES Brc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H12BrN3O2S/c16-12-8-6-11(7-9-12)14(21)18-19-15(22)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,18,21)(H2,17,19,20,22)
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531938(CHEMBL4455886)
Show SMILES Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1O)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4S/c1-9-2-4-10(5-3-9)14(20)17-15(23)16-12-7-6-11(18(21)22)8-13(12)19/h2-8,19H,1H3,(H2,16,17,20,23)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531929(CHEMBL4456429)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)9-3-1-8(2-4-9)13(23)20-14(26)19-11-6-5-10(21(24)25)7-12(11)22/h1-7,22H,(H2,19,20,23,26)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  7.20E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531932(CHEMBL4439217)
Show SMILES Oc1ccc(cc1NC(=S)NC(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-9-3-1-8(2-4-9)13(20)17-14(23)16-11-7-10(18(21)22)5-6-12(11)19/h1-7,19H,(H2,16,17,20,23)
Affinity DataKi:  9.10E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531931(CHEMBL4468799)
Show SMILES Oc1ccc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O4S/c18-12-7-6-10(17(20)21)8-11(12)15-14(22)16-13(19)9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,19,22)
Affinity DataKi:  9.10E+3nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase A(Oryctolagus cuniculus)
Université Paul Sabatier

Curated by ChEMBL
LigandPNGBDBM50330437(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
Affinity DataKi:  1.50E+4nMAssay Description:Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  1.52E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S50A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  1.59E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 N275A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531937(CHEMBL4439146)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O4S/c18-12-8-10(17(20)21)6-7-11(12)15-14(22)16-13(19)9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,19,22)
Affinity DataKi:  1.67E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 minsMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Helicobacter pylori)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330437(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
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  2.04E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R302A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50330437(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
Affinity DataKi:  2.10E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis zinc dependent class 2 FbaMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase, glycosomal(Trypanosoma brucei brucei)
Université Paul Sabatier

Curated by ChEMBL
LigandPNGBDBM50183272(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)
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of Trypanosoma brucei class1 AldolaseMore data for this Ligand-Target Pair
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  2.44E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R302A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531927(CHEMBL4476697)
Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)
Affinity DataKi:  3.79E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 N275A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFructose-bisphosphate aldolase class 2(Synechocystis sp. (strain PCC 6803 / Kazusa))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50531928(CHEMBL1551854)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
Affinity DataKi:  5.23E+4nMAssay Description:Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R281A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...More data for this Ligand-Target Pair
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