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SMILES: COc1cc(N\C(Nc2cccc(OCC(O)=O)c2)=N\C#N)ccc1C#N

InChI Key: InChIKey=PHSWIOSZHZDVRB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248127   
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))		BDBM248127
PNG
(IMPDH II inhibitor, 46)
Show SMILES COc1cc(N\C(Nc2cccc(OCC(O)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C18H15N5O4/c1-26-16-8-14(6-5-12(16)9-19)23-18(21-11-20)22-13-3-2-4-15(7-13)27-10-17(24)25/h2-8H,10H2,1H3,(H,24,25)(H2,21,22,23)
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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