BDBM50359622 CHEMBL1928432

SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O

InChI Key InChIKey=IJDGQXGQAWBJEG-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50359622   

TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Charles University

Curated by ChEMBL
LigandPNGBDBM50359622(CHEMBL1928432)
Affinity DataKi:  600nMAssay Description:Inhibition of Mycobacterium tuberculosis TMPK assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Charles University

Curated by ChEMBL
LigandPNGBDBM50359622(CHEMBL1928432)
Affinity DataKi:  1.45E+4nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetdTMP kinase(Plasmodium falciparum (isolate 3D7))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50359622(CHEMBL1928432)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidylate kinase(Human)
Charles University

Curated by ChEMBL
LigandPNGBDBM50359622(CHEMBL1928432)
Affinity DataKi:  3.62E+5nMAssay Description:Inhibition of human TMPK assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed