BDBM50263246 CHEMBL444916::N-(((2R,3S,4R,5R)-5-(6-amino-2-ethyl-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl)-N-(2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)methanedisulfonamide::N-5-(6-amino-2-ethyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-N-(2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)methanebis(sulfurous)acid

SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)CS(=O)(=O)NCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=DCQKHEMAPIPCEE-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50263246   

TargetInosine-5'-monophosphate dehydrogenase 2(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50263246(N-(((2R,3S,4R,5R)-5-(6-amino-2-ethyl-9H-purin-9-yl...)
Affinity DataKi:  440nMAssay Description:Inhibition of human IMP dehydrogenase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetInosine-5'-monophosphate dehydrogenase 1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50263246(N-(((2R,3S,4R,5R)-5-(6-amino-2-ethyl-9H-purin-9-yl...)
Affinity DataKi:  820nMAssay Description:Inhibition of human IMP dehydrogenase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed