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11 molecules are shown

Wt: 283.1
BDBM25407
Wt: 297.1
BDBM25408
Wt: 311.2
BDBM25409
Wt: 311.2
BDBM25410
Wt: 269.1
BDBM25401
Wt: 331.1
BDBM25402
Wt: 280.1
BDBM25403
Wt: 345.2
BDBM25414
Wt: 345.2
BDBM25417
Wt: 345.2
BDBM25419
Wt: 332.1
BDBM25423

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 25407,25408,25409,25410,25401,25402,25403,25414,25417,25419,25423   
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)
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

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

Similars

Article
PubMed
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-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)
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)
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)
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)
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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-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)