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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Spermidine/spermine N(1)-acetyltransferase 1' 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
Spermidine/spermine N(1)-acetyltransferase 1


(Homo sapiens)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human SSAT using spermidine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Spermidine/spermine N(1)-acetyltransferase 1


(Homo sapiens)
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
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2.40E+3n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human SSAT using spermidine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Spermidine/spermine N(1)-acetyltransferase 1


(Homo sapiens)
BDBM50095444
PNG
(CHEMBL315330 | Methyl-phosphonic acid mono-{3-[3-(...)
Show SMILES CCNCCCNCCCNCCCOP(C)(O)=O
Show InChI InChI=1S/C12H30N3O3P/c1-3-13-7-4-8-14-9-5-10-15-11-6-12-18-19(2,16)17/h13-15H,3-12H2,1-2H3,(H,16,17)
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5.00E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against human SSAT


J Med Chem 44: 1-26 (2001)

More data for this
Ligand-Target Pair
Spermidine/spermine N(1)-acetyltransferase 1


(Homo sapiens)
BDBM50095431
PNG
(CHEMBL86940 | N-Ethyl-N'-[3-(3-prop-2-ynylamino-pr...)
Show SMILES CCNCCCNCCCNCCCNCC#C
Show InChI InChI=1S/C14H30N4/c1-3-8-16-10-6-12-18-14-7-13-17-11-5-9-15-4-2/h1,15-18H,4-14H2,2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against SSAT extracted from superinduced H157 cells


J Med Chem 44: 1-26 (2001)

More data for this
Ligand-Target Pair
Spermidine/spermine N(1)-acetyltransferase 1


(Homo sapiens)
BDBM50095437
PNG
(CHEMBL33387 | N-[3-(Cyclopropylmethyl-amino)-propy...)
Show SMILES CCNCCCNCCCNCCCNCC1CC1
Show InChI InChI=1S/C15H34N4/c1-2-16-8-3-9-17-10-4-11-18-12-5-13-19-14-15-6-7-15/h15-19H,2-14H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against SSAT extracted from superinduced H157 cells


J Med Chem 44: 1-26 (2001)

More data for this
Ligand-Target Pair