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SMILES: CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1

InChI Key: InChIKey=PJFQWSNOXLEDDZ-OOJLDXBWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248095   
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))		BDBM248095
PNG
(VX-148 (3))
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 |r|
Show InChI InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20?/m0/s1
PDB
MMDB

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PC cid
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Article
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n/an/a 380n/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