BDBM152706 Chlorhexidine::Chlorhexidine (1)

SMILES [H]/N=C(\NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)/N/C(=N\[H])/Nc2ccc(cc2)Cl

InChI Key InChIKey=GHXZTYHSJHQHIJ-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 152706   

TargetAcetyltransferase, GNAT family(Bacillus anthracis)
University of Kentucky

LigandPNGBDBM152706(Chlorhexidine (1) | Chlorhexidine)
Affinity DataIC50: 1.40E+4nMpH: 8.0Assay Description:Briefly, reactions (200 μL) contained compounds 1−3 dissolved in Tris-HCl buffer (50 mM, pH 8.0, 10% DMSO) with a 5-fold serial dilution, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2015
Entry Details Article
PubMed
LigandPNGBDBM152706(Chlorhexidine (1) | Chlorhexidine)
Affinity DataKi:  100nM ΔG°:  -9.54kcal/molepH: 7.5 T: 2°CAssay Description:The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (ε515 nm = 2.6 × 10^4 M−1 cm&...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2017
Entry Details Article
PubMed
TargetSpermine oxidase(Human)
University Roma Tre

LigandPNGBDBM152706(Chlorhexidine (1) | Chlorhexidine)
Affinity DataKi:  550nM ΔG°:  -8.53kcal/molepH: 8.3 T: 2°CAssay Description:The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (ε515 nm = 2.6 × 10^4 M−1 cm&...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2017
Entry Details Article
PubMed