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15 molecules are shown

Compile data set for download or QSAR
Wt: 283.1
BDBM25407
Wt: 297.1
BDBM25408
Wt: 311.2
BDBM25409
Wt: 311.2
BDBM25410
Wt: 346.2
BDBM25425
Wt: 346.2
BDBM25426
Wt: 269.1
BDBM25401
Wt: 331.1
BDBM25402
Wt: 280.1
BDBM25403
Wt: 325.2
BDBM25411
Wt: 325.2
BDBM25412
Wt: 351.2
BDBM25413
Wt: 345.2
BDBM25419
Wt: 359.2
BDBM25420
Wt: 373.2
BDBM25421

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 25407,25408,25409,25410,25425,25426,25401,25402,25403,25411,25412,25413,25419,25420,25421   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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-acyl-carrier protein reductase


(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
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
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)
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)
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)
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

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
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)
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)
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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)
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)
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)
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)
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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-acyl carrier reductase


(Toxoplasma gondii)
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/a7.5n/a



Johns Hopkins Bloomberg School of Public Health



Assay Description
The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...


Biochemistry 52: 9155-66 (2013)


Article DOI: 10.1021/bi400945y
BindingDB Entry DOI: 10.7270/Q2PV6J27
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/a7.5n/a



Johns Hopkins Bloomberg School of Public Health



Assay Description
The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...


Biochemistry 52: 9155-66 (2013)


Article DOI: 10.1021/bi400945y
BindingDB Entry DOI: 10.7270/Q2PV6J27
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(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
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n/an/a 71n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(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
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n/an/a 76n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(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/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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)