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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine decarboxylase proenzyme' and Ligand = 'BDBM50366314'   
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
S-adenosylmethionine decarboxylase proenzyme


(Homo sapiens (Human))
BDBM50366314
PNG
(CHEMBL3392211 | CHEMBL607699)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#N |r|
Show InChI InChI=1S/C14H19N7O3S/c15-3-7(16)1-2-25-4-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-2,4,16H2,(H2,17,18,19)/t7?,8-,10-,11-,14?/m1/s1
PDB
MMDB

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Similars

Article
n/an/a 1.79E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against AdoMet-DC from Escherichia coli


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair