new BindingDB logo
myBDB logout

BDBM50326321 CHEMBL1243085::Hexa-2,4-dienoic Acid(4-(4-Chloro-2-hydroxyphenoxy)-phenyl)amide

SMILES: C\C=C\C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1

InChI Key: InChIKey=HWGQVNFPRPGVED-MQQKCMAXSA-N

Data: 1 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 1 hit for monomerid = 50326321   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50326321
PNG
(CHEMBL1243085 | Hexa-2,4-dienoic Acid(4-(4-Chloro-...)
Show SMILES C\C=C\C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1
Show InChI InChI=1S/C18H16ClNO3/c1-2-3-4-5-18(22)20-14-7-9-15(10-8-14)23-17-11-6-13(19)12-16(17)21/h2-12,21H,1H3,(H,20,22)/b3-2+,5-4+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl reductase


J Med Chem 53: 6287-300 (2010)


Article DOI: 10.1021/jm9017724
BindingDB Entry DOI: 10.7270/Q2B858CM
More data for this
Ligand-Target Pair