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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase 2' and Ligand = 'BDBM248130'   
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM248130
PNG
(IMPDH II inhibitor, 49)
Show SMILES COc1cc(N\C(Nc2cccc(Cc3nnn(C)n3)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C19H17N9O/c1-28-26-18(25-27-28)9-13-4-3-5-15(8-13)23-19(22-12-21)24-16-7-6-14(11-20)17(10-16)29-2/h3-8,10H,9H2,1-2H3,(H2,22,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<3.00E+4n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair