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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'leed' and Initial = 'se'   
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 ENR


(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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
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 ENR


(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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
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 Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase


Bioorg Med Chem Lett 23: 3551-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.035
BindingDB Entry DOI: 10.7270/Q2XK8GZ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50435717
PNG
(CHEMBL2392450 | N‐{[4‐(2,4‐dichl...)
Show SMILES Cc1cc(no1)C(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-17(15(23)7-11)25-16-5-3-12(19)8-13(16)20/h2-8,23H,9H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase


Bioorg Med Chem Lett 23: 3551-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.035
BindingDB Entry DOI: 10.7270/Q2XK8GZ7
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50435720
PNG
(CHEMBL2392447)
Show SMILES CCCc1cc(no1)-c1ccc(Oc2ccc(cc2O)C#N)c(Cl)c1
Show InChI InChI=1S/C19H15ClN2O3/c1-2-3-14-10-16(22-25-14)13-5-7-18(15(20)9-13)24-19-6-4-12(11-21)8-17(19)23/h4-10,23H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase


Bioorg Med Chem Lett 23: 3551-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.035
BindingDB Entry DOI: 10.7270/Q2XK8GZ7
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(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

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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 ENR


(Toxoplasma gondii)
BDBM50435719
PNG
(CHEMBL2392448)
Show SMILES OCCc1cc(no1)-c1ccc(Oc2ccc(cc2O)C#N)c(Cl)c1
Show InChI InChI=1S/C18H13ClN2O4/c19-14-8-12(15-9-13(5-6-22)25-21-15)2-4-17(14)24-18-3-1-11(10-20)7-16(18)23/h1-4,7-9,22-23H,5-6H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase


Bioorg Med Chem Lett 23: 3551-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.035
BindingDB Entry DOI: 10.7270/Q2XK8GZ7
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(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

UniProtKB/TrEMBL

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 ENR


(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

UniProtKB/TrEMBL

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 ENR


(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

UniProtKB/TrEMBL

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 ENR


(Toxoplasma gondii)
BDBM50435718
PNG
(CHEMBL2392449)
Show SMILES CCCc1cc(no1)-c1ccc(Oc2ccc(CNC(=O)c3cc(C)on3)cc2O)c(Cl)c1
Show InChI InChI=1S/C24H22ClN3O5/c1-3-4-17-12-19(27-33-17)16-6-8-22(18(25)11-16)31-23-7-5-15(10-21(23)29)13-26-24(30)20-9-14(2)32-28-20/h5-12,29H,3-4,13H2,1-2H3,(H,26,30)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 137n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase


Bioorg Med Chem Lett 23: 3551-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.035
BindingDB Entry DOI: 10.7270/Q2XK8GZ7
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(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

UniProtKB/TrEMBL

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 ENR


(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

UniProtKB/TrEMBL

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