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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = '3-oxoacyl-acyl-carrier protein reductase'   
Target
(Institution)
LigandTarget
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
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
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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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-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 4.10E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-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 5.40E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM23409
PNG
(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-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 1.40E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50049394
PNG
(5,4'-Dihydroxy-6,7-dimethoxyflavone | 5-Hydroxy-2-...)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50329257
PNG
(2-Hexadecynoic acid | CHEMBL1269411)
Show SMILES CCCCCCCCCCCCCCC#CC(O)=O
Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)
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6.00E+3n/an/an/an/an/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Plasmodium falciparum FabG using NADH as cofactor by Michaelis-Menten steady state analysis


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50329257
PNG
(2-Hexadecynoic acid | CHEMBL1269411)
Show SMILES CCCCCCCCCCCCCCC#CC(O)=O
Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)
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1.43E+4n/an/an/an/an/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Competitive inhibition of Plasmodium falciparum FabG using acetoacetyl-CoA as substrate by Michaelis-Menten steady state analysis


Citation and Details
More data for this
Ligand-Target Pair