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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'lack' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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40n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216719
PNG
(CHEMBL348433)
Show SMILES OP(O)(=O)C(Cl)c1cccc(n1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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330n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216635
PNG
(CHEMBL356436)
Show SMILES OP(O)(=O)C(F)c1cccc(c1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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690n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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800n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG in presence of NADPH


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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1.80E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG in presence of acetoacetyl-CoA


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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2.10E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG in presence of NADPH


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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6.40E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG in presence of acetoacetyl-CoA


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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1.15E+4n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216699
PNG
(CHEMBL147415)
Show SMILES OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O
Show InChI InChI=1S/C7H9F2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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6.10E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216724
PNG
(CHEMBL356430)
Show SMILES OP(O)(=O)CC(=C)CP(O)(O)=O
Show InChI InChI=1S/C4H10O6P2/c1-4(2-11(5,6)7)3-12(8,9)10/h1-3H2,(H2,5,6,7)(H2,8,9,10)
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6.10E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216698
PNG
(CHEMBL341829)
Show SMILES OC(c1cccc(c1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-10H,(H2,11,12,13)(H2,14,15,16)
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7.50E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216703
PNG
(CHEMBL148705)
Show SMILES OP(O)(=O)Cc1cccc(CP(O)(O)=O)n1
Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)4-6-2-1-3-7(8-6)5-16(12,13)14/h1-3H,4-5H2,(H2,9,10,11)(H2,12,13,14)
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8.00E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216711
PNG
(CHEMBL147362)
Show SMILES OP(O)(=O)Cc1cccc(CP(O)(O)=O)c1
Show InChI InChI=1S/C8H12O6P2/c9-15(10,11)5-7-2-1-3-8(4-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
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1.20E+5n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216697
PNG
(CHEMBL357982)
Show SMILES OC(c1cccc(n1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO8P2/c9-6(17(11,12)13)4-2-1-3-5(8-4)7(10)18(14,15)16/h1-3,6-7,9-10H,(H2,11,12,13)(H2,14,15,16)
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1.56E+5n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50281096
PNG
(CHEMBL86676 | N-{(2E)-3-[3-(4-fluorophenoxy)phenyl...)
Show SMILES CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
Show InChI InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophils


Bioorg Med Chem Lett 3: 2565-2570 (1993)


Article DOI: 10.1016/S0960-894X(01)80717-4
BindingDB Entry DOI: 10.7270/Q2833RZX
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50281097
PNG
(CHEMBL87994 | N-{3-[3-(4-fluorophenoxy)phenyl]cycl...)
Show SMILES NC(=O)N(O)[C@H]1C[C@H](C1)c1cccc(Oc2ccc(F)cc2)c1 |wU:5.4,7.9,(14.94,-12.7,;13.61,-11.93,;13.61,-10.39,;12.28,-12.7,;12.28,-14.24,;11.21,-11.62,;9.67,-11.6,;9.67,-10.06,;11.21,-10.08,;8.34,-9.29,;8.34,-7.75,;7,-7,;5.68,-7.75,;5.68,-9.29,;4.35,-10.06,;3.01,-9.29,;3.01,-7.75,;1.66,-6.98,;.33,-7.75,;-1,-6.98,;.33,-9.29,;1.66,-10.06,;7.01,-10.06,)|
Show InChI InChI=1S/C17H17FN2O3/c18-13-4-6-15(7-5-13)23-16-3-1-2-11(10-16)12-8-14(9-12)20(22)17(19)21/h1-7,10,12,14,22H,8-9H2,(H2,19,21)/t12-,14+
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophils


Bioorg Med Chem Lett 3: 2565-2570 (1993)


Article DOI: 10.1016/S0960-894X(01)80717-4
BindingDB Entry DOI: 10.7270/Q2833RZX
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50281095
PNG
(CHEMBL405188 | N-[3-(1-benzothien-2-yl)cyclobutyl]...)
Show SMILES NC(=O)N(O)[C@H]1C[C@@H](C1)c1cc2ccccc2s1 |wU:7.9,wD:5.4,(13.91,-8.94,;12.58,-8.17,;12.58,-6.63,;11.25,-8.94,;11.25,-10.48,;10.17,-7.85,;10.18,-6.31,;8.64,-6.31,;8.63,-7.85,;7.31,-5.54,;6.39,-4.29,;4.93,-4.78,;3.59,-4.01,;2.26,-4.78,;2.26,-6.33,;3.59,-7.1,;4.93,-6.32,;6.4,-6.79,)|
Show InChI InChI=1S/C13H14N2O2S/c14-13(16)15(17)10-5-9(6-10)12-7-8-3-1-2-4-11(8)18-12/h1-4,7,9-10,17H,5-6H2,(H2,14,16)/t9-,10-
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophils


Bioorg Med Chem Lett 3: 2565-2570 (1993)


Article DOI: 10.1016/S0960-894X(01)80717-4
BindingDB Entry DOI: 10.7270/Q2833RZX
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 400n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216704
PNG
(CHEMBL150751)
Show SMILES Cc1cc(C)c(cc1C(F)(F)P(O)(O)=O)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H12F4O6P2/c1-5-3-6(2)8(10(13,14)22(18,19)20)4-7(5)9(11,12)21(15,16)17/h3-4H,1-2H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 840n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216708
PNG
(CHEMBL151887)
Show SMILES Cc1cc(cc(c1)C(F)(F)P(O)(O)=O)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C9H10F4O6P2/c1-5-2-6(8(10,11)20(14,15)16)4-7(3-5)9(12,13)21(17,18)19/h2-4H,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 880n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216723
PNG
(CHEMBL150369)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H8F4O6P2/c9-7(10,19(13,14)15)5-2-1-3-6(4-5)8(11,12)20(16,17)18/h1-4H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 960n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216696
PNG
(CHEMBL357952)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H8F4O6P2/c9-7(10,19(13,14)15)5-1-2-6(4-3-5)8(11,12)20(16,17)18/h1-4H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 980n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216634
PNG
(CHEMBL356655)
Show SMILES OP(O)(=O)C(Cl)c1cccc(c1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216716
PNG
(CHEMBL348186)
Show SMILES OP(O)(=O)c1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C7H8F2O6P2/c8-7(9,17(13,14)15)5-2-1-3-6(4-5)16(10,11)12/h1-4H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216714
PNG
(CHEMBL149734)
Show SMILES OP(O)(=O)C(Cl)c1ccc(cc1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O6P2/c9-7(17(11,12)13)5-1-2-6(4-3-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216726
PNG
(CHEMBL149786)
Show SMILES OP(O)(=O)C(F)c1ccc(cc1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-1-2-6(4-3-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216701
PNG
(CHEMBL148974)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(n1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C7H7F4NO6P2/c8-6(9,19(13,14)15)4-2-1-3-5(12-4)7(10,11)20(16,17)18/h1-3H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216635
PNG
(CHEMBL356436)
Show SMILES OP(O)(=O)C(F)c1cccc(c1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216719
PNG
(CHEMBL348433)
Show SMILES OP(O)(=O)C(Cl)c1cccc(n1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216707
PNG
(CHEMBL422133)
Show SMILES OP(O)(=O)Cc1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-8(10,18(14,15)16)7-3-1-2-6(4-7)5-17(11,12)13/h1-4H,5H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216636
PNG
(CHEMBL347337)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-8(10,18(14,15)16)7-3-1-6(2-4-7)5-17(11,12)13/h1-4H,5H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase


(Plasmodium falciparum)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
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