BDBM50148588 CHEMBL325304::Heptyl-phosphonic acid monoethyl ester::ethyl hydrogen heptylphosphonate

SMILES: CCCCCCCP(O)(=O)OCC

InChI Key: InChIKey=HCDLTAHUJKIXJE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50148588   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Fibonectin-binding protein C (Mycobacterium tuberculosis)	BDBM50148588 (CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...) Show SMILES CCCCCCCP(O)(=O)OCC Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Fibonectin-binding protein C (Mycobacterium tuberculosis)	BDBM50148588 (CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...) Show SMILES CCCCCCCP(O)(=O)OCC Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair