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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'henriquez' and Initial = 'fl'   
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)
BDBM50326333
PNG
(5-chloro-2-(4-nitrophenoxy)phenol | CHEMBL1240784)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H8ClNO4/c13-8-1-6-12(11(15)7-8)18-10-4-2-9(3-5-10)14(16)17/h1-7,15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326320
PNG
(3-(2-Hydroxy-4-propylphenoxy)phenyl Boronic Acid |...)
Show SMILES CCCc1ccc(Oc2cccc(c2)B(O)O)c(O)c1
Show InChI InChI=1S/C15H17BO4/c1-2-4-11-7-8-15(14(17)9-11)20-13-6-3-5-12(10-13)16(18)19/h3,5-10,17-19H,2,4H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 174n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326323
PNG
(4-(2,6-Dihydroxy-4-propylphenoxy)benzamide | CHEMB...)
Show SMILES CCCc1cc(O)c(Oc2ccc(cc2)C(N)=O)c(O)c1
Show InChI InChI=1S/C16H17NO4/c1-2-3-10-8-13(18)15(14(19)9-10)21-12-6-4-11(5-7-12)16(17)20/h4-9,18-19H,2-3H2,1H3,(H2,17,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
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PubMed
n/an/a 280n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326334
PNG
(5-chloro-2-(2-nitrophenoxy)phenol | CHEMBL1240785)
Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8ClNO4/c13-8-5-6-12(10(15)7-8)18-11-4-2-1-3-9(11)14(16)17/h1-7,15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326331
PNG
(2-(biphenyl-4-yloxy)-5-chlorophenol | CHEMBL124302...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H13ClO2/c19-15-8-11-18(17(20)12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326321
PNG
(CHEMBL1243085 | Hexa-2,4-dienoic Acid(4-(4-Chloro-...)
Show SMILES C\C=C\C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1
Show InChI InChI=1S/C18H16ClNO3/c1-2-3-4-5-18(22)20-14-7-9-15(10-8-14)23-17-11-6-13(19)12-16(17)21/h2-12,21H,1H3,(H,20,22)/b3-2+,5-4+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326324
PNG
(1-(2-chlorobenzyl)-4-(3-(9H-carbazol-9-yl)propoxy)...)
Show SMILES Clc1ccccc1Cn1ccc(OCCCn2c3ccccc3c3ccccc23)cc1=O
Show InChI InChI=1S/C27H23ClN2O2/c28-24-11-4-1-8-20(24)19-29-16-14-21(18-27(29)31)32-17-7-15-30-25-12-5-2-9-22(25)23-10-3-6-13-26(23)30/h1-6,8-14,16,18H,7,15,17,19H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326322
PNG
(CHEMBL1243120 | Hexa-2,4-dienoic Acid(4-(2,4-Dichl...)
Show SMILES C\C=C\C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C18H15Cl2NO3/c1-2-3-4-5-18(23)21-13-7-9-17(15(22)11-13)24-16-8-6-12(19)10-14(16)20/h2-11,22H,1H3,(H,21,23)/b3-2+,5-4+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326319
PNG
(5-chloro-2-(pyridin-3-yloxy)phenol | CHEMBL1240915)
Show SMILES Oc1cc(Cl)ccc1Oc1cccnc1
Show InChI InChI=1S/C11H8ClNO2/c12-8-3-4-11(10(14)6-8)15-9-2-1-5-13-7-9/h1-7,14H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326329
PNG
(5-Chloro-2-(2,4-dichlorophenoxy)phenyl Pivaloate |...)
Show SMILES CC(C)(C)C(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H15Cl3O3/c1-17(2,3)16(21)23-15-9-11(19)5-7-14(15)22-13-6-4-10(18)8-12(13)20/h4-9H,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326332
PNG
(2-Amino-N-(5-chloro-2-phenoxyphenyl)nicotinamide |...)
Show SMILES Nc1ncccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
Show InChI InChI=1S/C18H14ClN3O2/c19-12-8-9-16(24-13-5-2-1-3-6-13)15(11-12)22-18(23)14-7-4-10-21-17(14)20/h1-11H,(H2,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326330
PNG
(5-chloro-2-phenoxyaniline | CHEMBL1240673)
Show SMILES Nc1cc(Cl)ccc1Oc1ccccc1
Show InChI InChI=1S/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326328
PNG
(4-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)-3-...)
Show SMILES Clc1cc(ccc1Cn1ccc(OCc2ccccc2)cc1=O)C#N
Show InChI InChI=1S/C20H15ClN2O2/c21-19-10-16(12-22)6-7-17(19)13-23-9-8-18(11-20(23)24)25-14-15-4-2-1-3-5-15/h1-11H,13-14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326326
PNG
(1-(2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one ...)
Show SMILES Clc1ccccc1Cn1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C19H16ClNO2/c20-18-9-5-4-8-16(18)13-21-11-10-17(12-19(21)22)23-14-15-6-2-1-3-7-15/h1-12H,13-14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326325
PNG
(1-(2-chloro-4-nitrobenzyl)-4-(benzyloxy)pyridin-2(...)
Show SMILES [O-][N+](=O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C19H15ClN2O4/c20-18-10-16(22(24)25)7-6-15(18)12-21-9-8-17(11-19(21)23)26-13-14-4-2-1-3-5-14/h1-11H,12-13H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR


(Toxoplasma gondii)
BDBM50326327
PNG
(1-(2-chlorobenzyl)-4-(4-methoxybenzyloxy)pyridin-2...)
Show SMILES COc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1
Show InChI InChI=1S/C20H18ClNO3/c1-24-17-8-6-15(7-9-17)14-25-18-10-11-22(20(23)12-18)13-16-4-2-3-5-19(16)21/h2-12H,13-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair