BDBM50192451 CHEMBL213053::NADP+

SMILES NC(=O)c1ccc[n+](c1)C1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O

InChI Key InChIKey=XJLXINKUBYWONI-CGXMUHRRSA-K

Data  2 KI  1 Kd

  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 3 hits for monomerid = 50192451   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM50192451(CHEMBL213053 | NADP+)
Affinity DataKi:  4.70nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM50192451(CHEMBL213053 | NADP+)
Affinity DataKi:  15nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target2-dehydropantoate 2-reductase(Escherichia coli (strain K12))
University Chemical Laboratory

Curated by ChEMBL
LigandPNGBDBM50192451(CHEMBL213053 | NADP+)
Affinity DataKd:  5.80E+3nMAssay Description:Binding affinity to Escherichia coli KPRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed