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SMILES: CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3ncc(OC)nc3c2)c1

InChI Key: InChIKey=KUVFNMBKMGIGOD-FUKCDUGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248105   
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))		BDBM248105
PNG
(IMPDH II inhibitor, 22)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3ncc(OC)nc3c2)c1 |r|
Show InChI InChI=1S/C24H26N6O4/c1-4-19(10-11-25)34-24(32)27-15(2)16-6-5-7-17(12-16)28-23(31)29-18-8-9-20-21(13-18)30-22(33-3)14-26-20/h5-9,12-15,19H,4,10H2,1-3H3,(H,27,32)(H2,28,29,31)/t15-,19?/m0/s1
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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