BDBM50565094 CHEMBL4793140

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O

InChI Key InChIKey=QYCMIBWWMYOXIF-UHFFFAOYSA-N

Data  2 KI

  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 = 50565094   

TargetLong-chain-fatty-acid--AMP ligase FadD28(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565094(CHEMBL4793140)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetMedium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565094(CHEMBL4793140)
Affinity DataKi:  2.85E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FACL19 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed