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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Spermidine synthase' AND taxid = 9823   
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
Spermidine synthase


(Sus scrofa)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

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
Spermidine synthase


(Sus scrofa)
BDBM50151659
PNG
(CHEMBL3775244)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)N1C(=O)c2ccccc2C1=O)c1cccs1
Show InChI InChI=1S/C32H24N4O4S2/c1-39-27-14-11-20(16-28(27)40-2)26-17-24(29-8-5-15-41-29)34-36(26)32-33-25(18-42-32)19-9-12-21(13-10-19)35-30(37)22-6-3-4-7-23(22)31(35)38/h3-16,18,26H,17H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of yeast ESA1 using N-terminal histone H3 substrate by radiometric filter binding based virtual screen in presence of [3H]acetyl-CoA


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair