BDBM50008558 CHEMBL9113::Toluen::Toluol::phenylmethane::toluene

SMILES Cc1ccccc1

InChI Key InChIKey=YXFVVABEGXRONW-UHFFFAOYSA-N

Data  2 IC50  6 Kd

PDB links: 26 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50008558   

TargetAcetylcholinesterase(Homo sapiens (Human))
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataIC50: 4.90E+3nMAssay Description:IC50 against acetylcholinesterase; value ranges from 1-4900 nM.More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataIC50: 5.20nMAssay Description:Inhibition of acetylcholinesterase.More data for this Ligand-Target Pair
TargetEndolysin [L99A](Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  1.02E+5nMAssay Description:Dissociation constant against T4 lysozyme mutant L99AMore data for this Ligand-Target Pair
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  9.05E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  7.10E+4nMAssay 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
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  1.56E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102Q double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
TargetEndolysin(Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  1.02E+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
TargetEndolysin [L99A,M102Q](Enterobacteria phage T4)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50008558(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Affinity DataKd:  1.56E+5nMAssay Description:Dissociation constant against T4 lysozyme mutant L99A/M102QMore data for this Ligand-Target Pair