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SMILES: COc1cc(N\C(Nc2cccc(c2)-c2cccc(c2)C(F)(F)F)=N\C#N)ccc1C#N

InChI Key: InChIKey=OIOBRGSESDSZCV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248138   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM248138
PNG
(IMPDH II inhibitor, 57)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2cccc(c2)C(F)(F)F)=N\C#N)ccc1C#N
Show InChI InChI=1S/C23H16F3N5O/c1-32-21-12-20(9-8-17(21)13-27)31-22(29-14-28)30-19-7-3-5-16(11-19)15-4-2-6-18(10-15)23(24,25)26/h2-12H,1H3,(H2,29,30,31)
PDB
MMDB

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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