BDBM50351770 CHEMBL1823499

SMILES CCCCNC(=O)CCCCC#Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O

InChI Key InChIKey=CELNHSZCHNLKKO-VYCZESIESA-L

Data  2 IC50

  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 = 50351770   

TargetThymidylate synthase ThyA(Mycobacterium tuberculosis)
Katholieke Universiteit Leuven

Curated by ChEMBL
LigandPNGBDBM50351770(CHEMBL1823499)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFlavin-dependent thymidylate synthase(Mycobacterium tuberculosis)
Katholieke Universiteit Leuven

Curated by ChEMBL
LigandPNGBDBM50351770(CHEMBL1823499)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed