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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Spermine synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Spermine synthase


(Homo sapiens)
BDBM50095449
PNG
(2-[1-(2-Amino-ethyl)-6-(3-amino-propylamino)-hexyl...)
Show SMILES NCCCNCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1
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PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 20n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against spermine synthase


J Med Chem 44: 1-26 (2001)

More data for this
Ligand-Target Pair
Spermine synthase


(Homo sapiens)
BDBM50095450
PNG
(2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...)
Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 50n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against spermine synthase


J Med Chem 44: 1-26 (2001)

More data for this
Ligand-Target Pair