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BDBM25403 4‐(2,4‐dichlorophenoxy)‐3‐hydroxybenzonitrile (19)::4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile::Triclosan derivative, 4

SMILES: Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N

InChI Key: InChIKey=QYLRCMQANMWAOJ-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 = 25403   
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)
BDBM25403
PNG
(4‐(2,4‐dichlorophenoxy)‐3‐...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/a7.5n/a



Johns Hopkins Bloomberg School of Public Health



Assay Description
The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...


Biochemistry 52: 9155-66 (2013)


Article DOI: 10.1021/bi400945y
BindingDB Entry DOI: 10.7270/Q2PV6J27
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25403
PNG
(4‐(2,4‐dichlorophenoxy)‐3‐...)
Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/a7.925



Jacobus Pharmaceutical Company



Assay Description
PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...


J Biol Chem 282: 25436-44 (2007)


Article DOI: 10.1074/jbc.M701813200
BindingDB Entry DOI: 10.7270/Q22V2DFD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)