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SMILES: CN(C)CCOC(=O)NCc1cccc(c1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1

InChI Key: InChIKey=ATSRQHYDLDAPFT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133716   
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))		BDBM50133716
PNG
(CHEMBL118115 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES CN(C)CCOC(=O)NCc1cccc(c1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C25H26N6O3/c1-30(2)9-10-33-25(32)28-14-17-5-4-6-18(11-17)23-15-27-24(34-23)29-20-7-8-21-19(13-26)16-31(3)22(21)12-20/h4-8,11-12,15-16H,9-10,14H2,1-3H3,(H,27,29)(H,28,32)
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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