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BDBM25414 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol::Triclosan derivative, 15

SMILES: Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

InChI Key: InChIKey=VDWAWADVXJMBAA-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 25414   
Target
(Institution)
LigandTarget
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-ACP Reductase (PfENR)


(Plasmodium falciparum)
BDBM25414
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol |...)
Show SMILES Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 440n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)