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Target
Sequence
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Ki
IC50
Kd
EC50
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ΔH°
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IC50
Kd
EC50
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PubMed code
24398298
Compile data set for download or QSAR
Found
3
hits of Enzyme Inhibition Constant Data
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii)
BDBM50447260
(CHEMBL2270735)
Show SMILES
Cc1ccc(Cn2cnc3cc(C)c(C)cc23)cc1
Show InChI
InChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Leeds
Curated by
ChEMBL
Assay Description
Inhibition of Toxoplasma gondii enoyl-ACP reductase-NADH complex
Bioorg Med Chem Lett
24:
911
-
6
(2014)
Article DOI:
10.1016/j.bmcl.2013.12.066
BindingDB Entry DOI:
10.7270/Q2TT4SF6
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii)
BDBM50447261
(CHEMBL1945694)
Show SMILES
Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C
Show InChI
InChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Leeds
Curated by
ChEMBL
Assay Description
Inhibition of Toxoplasma gondii enoyl-ACP reductase-NADH complex
Bioorg Med Chem Lett
24:
911
-
6
(2014)
Article DOI:
10.1016/j.bmcl.2013.12.066
BindingDB Entry DOI:
10.7270/Q2TT4SF6
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii)
BDBM50392117
(CHEMBL1945507)
Show SMILES
Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
Show InChI
InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Leeds
Curated by
ChEMBL
Assay Description
Inhibition of Toxoplasma gondii enoyl-ACP reductase-NADH complex
Bioorg Med Chem Lett
24:
911
-
6
(2014)
Article DOI:
10.1016/j.bmcl.2013.12.066
BindingDB Entry DOI:
10.7270/Q2TT4SF6
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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