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Found 35 hits Enz. Inhib. hit(s) with Target = 'Enoyl-ACP Reductase (PfENR)'   
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-ACP Reductase (PfENR)


(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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
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UniChem

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Article
PubMed
2.58E+3n/an/an/an/an/an/an/an/a



University of London

Curated by ChEMBL


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


Bioorg Med Chem 18: 7475-85 (2010)


Article DOI: 10.1016/j.bmc.2010.08.055
BindingDB Entry DOI: 10.7270/Q25Q4WB5
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Plasmodium falciparum FabI using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis


Bioorg Med Chem 18: 7475-85 (2010)


Article DOI: 10.1016/j.bmc.2010.08.055
BindingDB Entry DOI: 10.7270/Q25Q4WB5
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25418
PNG
(2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol |...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25403
PNG
(4‐(2,4‐dichlorophenoxy)‐3‐...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25419
PNG
(5-benzyl-2-(2,4-dichlorophenoxy)phenol | Triclosan...)
Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 73n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25420
PNG
(2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol | ...)
Show SMILES Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 76n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25407
PNG
(2‐(2,4‐dichlorophenoxy)‐5‐...)
Show SMILES CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25412
PNG
(2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol | ...)
Show SMILES CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C17H18Cl2O2/c1-11(2)3-4-12-5-7-17(15(20)9-12)21-16-8-6-13(18)10-14(16)19/h5-11,20H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25402
PNG
(2-(2,4-dichlorophenoxy)-5-phenylphenol | Triclosan...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C18H12Cl2O2/c19-14-7-9-17(15(20)11-14)22-18-8-6-13(10-16(18)21)12-4-2-1-3-5-12/h1-11,21H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25410
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol |...)
Show SMILES CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25417
PNG
(2-(2,4-dichlorophenoxy)-5-(4-methylphenyl)phenol |...)
Show SMILES Cc1ccc(cc1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-2-4-13(5-3-12)14-6-8-19(17(22)10-14)23-18-9-7-15(20)11-16(18)21/h2-11,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25401
PNG
(2-(2,4-dichlorophenoxy)-5-methylphenol | Triclosan...)
Show SMILES Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Yaounde

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...


J Nat Prod 74: 1370-8 (2011)


Article DOI: 10.1021/np100896w
BindingDB Entry DOI: 10.7270/Q2WH2QC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25408
PNG
(2-(2,4-dichlorophenoxy)-5-propylphenol | Triclosan...)
Show SMILES CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25416
PNG
(2-(2,4-dichlorophenoxy)-5-(3-methylphenyl)phenol |...)
Show SMILES Cc1cccc(c1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-3-2-4-13(9-12)14-5-7-19(17(22)10-14)23-18-8-6-15(20)11-16(18)21/h2-11,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25411
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol | ...)
Show SMILES CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25415
PNG
(3-chloro-4-[2-hydroxy-4-(2-methylphenyl)phenoxy]be...)
Show SMILES Cc1ccccc1-c1ccc(Oc2ccc(cc2Cl)C#N)c(O)c1
Show InChI InChI=1S/C20H14ClNO2/c1-13-4-2-3-5-16(13)15-7-9-20(18(23)11-15)24-19-8-6-14(12-22)10-17(19)21/h2-11,23H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25414
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol |...)
Show SMILES Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 440n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25421
PNG
(2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol |...)
Show SMILES Oc1cc(CCCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 440n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25409
PNG
(5-butyl-2-(2,4-dichlorophenoxy)phenol | Triclosan ...)
Show SMILES CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3
PDB
MMDB

KEGG

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n/an/a 480n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25413
PNG
(5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol...)
Show SMILES Oc1cc(CC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h6-9,11-13,22H,1-5,10H2
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n/an/a 530n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25427
PNG
(3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenox...)
Show SMILES Oc1cc(Cc2ccncc2)ccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C19H13ClN2O2/c20-16-10-15(12-21)2-3-18(16)24-19-4-1-14(11-17(19)23)9-13-5-7-22-8-6-13/h1-8,10-11,23H,9H2
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n/an/a 530n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25425
PNG
(2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phen...)
Show SMILES Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
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n/an/a 640n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25422
PNG
(3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benz...)
Show SMILES Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccccn1
Show InChI InChI=1S/C18H11ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H
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n/an/a 700n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25426
PNG
(2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phen...)
Show SMILES Oc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO2/c19-14-4-6-17(15(20)10-14)23-18-5-3-12(9-16(18)22)8-13-2-1-7-21-11-13/h1-7,9-11,22H,8H2
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n/an/a 840n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25424
PNG
(3-chloro-4-[2-hydroxy-4-(pyridin-4-yl)phenoxy]benz...)
Show SMILES Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccncc1
Show InChI InChI=1S/C18H11ClN2O2/c19-15-9-12(11-20)1-3-17(15)23-18-4-2-14(10-16(18)22)13-5-7-21-8-6-13/h1-10,22H
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n/an/a 2.80E+3n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM50349974
PNG
(CHEMBL1812485)
Show SMILES CC(C)=CCc1cc(ccc1O)-c1coc2c(C(C=C(C)C)c3cc(ccc3O)-c3coc4cc(O)cc(O)c4c3=O)c(O)cc(O)c2c1=O
Show InChI InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
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n/an/a 7.69E+3n/an/an/an/an/an/a



University of Yaounde

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...


J Nat Prod 74: 1370-8 (2011)


Article DOI: 10.1021/np100896w
BindingDB Entry DOI: 10.7270/Q2WH2QC7
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25405
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzamide | Tricl...)
Show SMILES NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H9Cl2NO3/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(16)18)5-10(12)17/h1-6,17H,(H2,16,18)
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n/an/a 2.10E+4n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25423
PNG
(2-(2,4-dichlorophenoxy)-5-(pyridin-3-yl)phenol | T...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1cccnc1
Show InChI InChI=1S/C17H11Cl2NO2/c18-13-4-6-16(14(19)9-13)22-17-5-3-11(8-15(17)21)12-2-1-7-20-10-12/h1-10,21H
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n/an/a 3.30E+4n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM50240896
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H...)
Show SMILES COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
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n/an/a 3.52E+4n/an/an/an/an/an/a



University of Yaounde

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...


J Nat Prod 74: 1370-8 (2011)


Article DOI: 10.1021/np100896w
BindingDB Entry DOI: 10.7270/Q2WH2QC7
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM50349976
PNG
(ISOWIGHTEONE)
Show SMILES CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Yaounde

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...


J Nat Prod 74: 1370-8 (2011)


Article DOI: 10.1021/np100896w
BindingDB Entry DOI: 10.7270/Q2WH2QC7
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25406
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid | CH...)
Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H8Cl2O4/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6,16H,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25404
PNG
(2-(2,4-dichlorophenoxy)-5-(2H-1,2,3,4-tetrazol-5-y...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1nnn[nH]1
Show InChI InChI=1S/C13H8Cl2N4O2/c14-8-2-4-11(9(15)6-8)21-12-3-1-7(5-10(12)20)13-16-18-19-17-13/h1-6,20H,(H,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM50349975
PNG
(CHEMBL1812593)
Show SMILES CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
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n/an/a 2.48E+5n/an/an/an/an/an/a



University of Yaounde

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...


J Nat Prod 74: 1370-8 (2011)


Article DOI: 10.1021/np100896w
BindingDB Entry DOI: 10.7270/Q2WH2QC7
More data for this
Ligand-Target Pair