BDBM50148593 CHEMBL119521::Hexyl-phosphonic acid monoethyl ester::N-HEXYLPHOSPHONATE ETHYL ESTER::ethyl hydrogen hexylphosphonate

SMILES CCCCCCP(O)(=O)OCC

InChI Key InChIKey=XPLOQMVUXWZLET-UHFFFAOYSA-N

Data  2 IC50

PDB links: 4 PDB IDs match this monomer.

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 = 50148593   

TargetDiacylglycerol acyltransferase/mycolyltransferase Ag85C(Mycobacterium tuberculosis)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50148593(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
Affinity DataIC50: 3.56E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferaseMore data for this Ligand-Target Pair
TargetDiacylglycerol acyltransferase/mycolyltransferase Ag85C(Mycobacterium tuberculosis)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50148593(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
Affinity DataIC50: 3.56E+3nMAssay Description:In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosisMore data for this Ligand-Target Pair