BDBM50223806 CHEMBL392137::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)thiourea

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  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50223806   

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

Curated by ChEMBL
LigandPNGBDBM50223806(N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluor...)
Affinity DataKi:  600nMAssay Description:Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetdTMP kinase(Plasmodium falciparum (isolate 3D7))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50223806(N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluor...)
Affinity DataKi:  3.10E+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)