BDBM50008567 1,4-Dimethylbenzol::1,4-xylene::4-methyltoluene::4-xylene::CHEMBL31561::p-Xylol::p-dimethylbenzene::p-xylene::para-xylene

SMILES Cc1ccc(C)cc1

InChI Key InChIKey=URLKBWYHVLBVBO-UHFFFAOYSA-N

Data  2 IC50  3 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50008567   

TargetAcetylcholinesterase(Human)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008567(CHEMBL31561 | para-xylene | 4-xylene | p-dimethylb...)
Affinity DataIC50: 40nMAssay Description:Inhibition of acetylcholinesterase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008567(CHEMBL31561 | para-xylene | 4-xylene | p-dimethylb...)
Affinity DataIC50: 4.90E+3nMAssay Description:IC50 against acetylcholinesterase; value ranges from 1-4900 nM.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEndolysin [L99A](Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008567(CHEMBL31561 | para-xylene | 4-xylene | p-dimethylb...)
Affinity DataKd:  4.22E+5nMAssay Description:Dissociation constant against T4 lysozyme mutant L99AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008567(CHEMBL31561 | para-xylene | 4-xylene | p-dimethylb...)
Affinity DataKd:  1.51E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008567(CHEMBL31561 | para-xylene | 4-xylene | p-dimethylb...)
Affinity DataKd:  4.22E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)