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SMILES: Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)OCCC#N)c3)cc12

InChI Key: InChIKey=NKFCJHISXSLJQD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133720   
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))		BDBM50133720
PNG
(CHEMBL118260 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)OCCC#N)c3)cc12
Show InChI InChI=1S/C24H20N6O3/c1-30-15-18(12-26)20-7-6-19(11-21(20)30)29-23-27-14-22(33-23)17-5-2-4-16(10-17)13-28-24(31)32-9-3-8-25/h2,4-7,10-11,14-15H,3,9,13H2,1H3,(H,27,29)(H,28,31)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme

Bioorg Med Chem Lett 13: 3557-60 (2003)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair