BDBM228818 8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione::IspH inhibitor, 9

SMILES Nc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O

InChI Key InChIKey=UMTNOJPWHMLXBA-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 = 228818   

Target4-hydroxy-3-methylbut-2-enyl diphosphate reductase(Aquifex aeolicus)
University of Illinois

LigandPNGBDBM228818(8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...)
Affinity DataKi:  700nMAssay Description:In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target4-hydroxy-3-methylbut-2-enyl diphosphate reductase(Escherichia coli (Enterobacteria))
University of Illinois

LigandPNGBDBM228818(8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...)
Affinity DataKi:  3.00E+3nMAssay Description:In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed