BDBM214795 OPRT inhibitor, 18

SMILES OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O

InChI Key InChIKey=HIFWOLIHUPOQGN-UHFFFAOYSA-O

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 214795   

TargetUridine 5'-monophosphate synthase(Human)
Albert Einstein College of Medicine

LigandPNGBDBM214795(OPRT inhibitor, 18)
Affinity DataKi:  230nM ΔG°:  -9.05kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOrotate phosphoribosyltransferase(Plasmodium falciparum (isolate 3D7))
Albert Einstein College of Medicine

LigandPNGBDBM214795(OPRT inhibitor, 18)
Affinity DataKi:  570nM ΔG°:  -8.51kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed