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PubMed code 26881725

Compile data set for download or QSAR
Found 4 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
Trypanothione synthetase


(Trypanosoma cruzi)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1 |r,wU:1.0,wD:4.4,(-2.4,1.39,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
KEGG

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Article
PubMed
n/an/a 93n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 50 uM p...


J Med Chem 59: 2261-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01769
BindingDB Entry DOI: 10.7270/Q2CV4KM8
More data for this
Ligand-Target Pair
Trypanothione synthetase


(Trypanosoma cruzi)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1 |r,wU:1.0,wD:4.4,(-2.4,1.39,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 620n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 0.5 mM ...


J Med Chem 59: 2261-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01769
BindingDB Entry DOI: 10.7270/Q2CV4KM8
More data for this
Ligand-Target Pair
Spermidine synthase


(Sus scrofa)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1 |r,wU:1.0,wD:4.4,(-2.4,1.39,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine spermidine synthase assessed as production of labeled 5'-methylthioadenosine using putrescine as substrate by enzymatic assay i...


J Med Chem 59: 2261-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01769
BindingDB Entry DOI: 10.7270/Q2CV4KM8
More data for this
Ligand-Target Pair
Trypanothione synthetase


(Trypanosoma cruzi)
BDBM50152095
PNG
(CHEMBL3779908)
Show SMILES NC1=Nc2ccccc2SC1 |t:1|
Show InChI InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)
KEGG

UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 50 uM p...


J Med Chem 59: 2261-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01769
BindingDB Entry DOI: 10.7270/Q2CV4KM8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%