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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)' and Monomerid = 50119127   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50119127
PNG
(1-{3-[N'-(3-Methoxy-4-oxazol-5-yl-phenyl)-N''-cyan...)
Show SMILES COc1cc(NC(Nc2cccc(CNC(=O)NCC3CCCO3)c2)=NC#N)ccc1-c1cnco1
Show InChI InChI=1S/C25H27N7O4/c1-34-22-11-19(7-8-21(22)23-14-27-16-36-23)32-24(30-15-26)31-18-5-2-4-17(10-18)12-28-25(33)29-13-20-6-3-9-35-20/h2,4-5,7-8,10-11,14,16,20H,3,6,9,12-13H2,1H3,(H2,28,29,33)(H2,30,31,32)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00600-5
BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair