BDBM194490 US9200020, Table 1, Compound 1

SMILES c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N

InChI Key InChIKey=KDWYBFCNTYIRFX-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 = 194490   

TargetHypoxanthine-guanine-xanthine phosphoribosyltransferase(Plasmodium falciparum)
The University of Queensland

US Patent
LigandPNGBDBM194490(US9200020, Table 1, Compound 1)
Affinity DataKi:  100nMpH: 7.4Assay Description:The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2016
Entry Details
Go to US Patent

TargetHypoxanthine-guanine phosphoribosyltransferase(Human)
The University of Queensland

US Patent
LigandPNGBDBM194490(US9200020, Table 1, Compound 1)
Affinity DataKi:  1.00E+3nMpH: 7.4Assay Description:The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)