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PubMed code 23453069

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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 reductase


(Toxoplasma gondii)
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
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MMDB

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B.MOAD
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431922
PNG
(5‐chloro‐2‐[2‐chloro‐...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7Cl2F3O2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,19H
PDB
MMDB

KEGG

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431923
PNG
(5‐chloro‐2‐(naphthalen‐2&#...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc2ccccc2c1
Show InChI InChI=1S/C16H11ClO2/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,18H
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431920
PNG
(5‐(4‐chloro‐2‐hydroxypheno...)
Show SMILES Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)no1
Show InChI InChI=1S/C15H11ClN2O5/c1-8-6-13(18-23-8)17-15(20)12-4-5-14(22-12)21-11-3-2-9(16)7-10(11)19/h2-7,19H,1H3,(H,17,18,20)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431918
PNG
(CHEMBL2347828)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc2ncccc2c1
Show InChI InChI=1S/C15H10ClNO2/c16-11-3-6-15(14(18)9-11)19-12-4-5-13-10(8-12)2-1-7-17-13/h1-9,18H
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431921
PNG
(CHEMBL2347842)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Oc2ccc(Cl)cc2O)cc1
Show InChI InChI=1S/C18H19ClN2O3/c1-13(22)20-8-10-21(11-9-20)15-3-5-16(6-4-15)24-18-7-2-14(19)12-17(18)23/h2-7,12,23H,8-11H2,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 225n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50431919
PNG
(CHEMBL2347830)
Show SMILES CC(=O)N1CCN(Cc2ccc(Oc3ccc(Cl)cc3O)s2)CC1
Show InChI InChI=1S/C17H19ClN2O3S/c1-12(21)20-8-6-19(7-9-20)11-14-3-5-17(24-14)23-16-4-2-13(18)10-15(16)22/h2-5,10,22H,6-9,11H2,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 965n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP


Bioorg Med Chem Lett 23: 2035-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.019
BindingDB Entry DOI: 10.7270/Q29Z968J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%