BindingDB logo
myBDB logout

BDBM50148582 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylethyl nonylphosphonate::CHEMBL118823::Nonyl-phosphonic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester ethyl ester

SMILES: CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=HDPSGQGNMQXEQG-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 = 50148582   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148582
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+4n/an/an/an/an/an/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)
BDBM50148582
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+4n/an/an/an/an/an/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