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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.

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 5 hits for monomerid = 50008567   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
PDB
MMDB

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CHEBI
CHEMBL
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Endolysin


(Enterobacteria phage T4)
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
PDB

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Article
PubMed
n/an/an/a 4.22E+5n/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 56: 2874-84 (2013)


Article DOI: 10.1021/jm301823g
BindingDB Entry DOI: 10.7270/Q2ZC85SH
More data for this
Ligand-Target Pair
Endolysin


(Enterobacteria phage T4)
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
PDB

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KEGG

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CHEBI
CHEMBL
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PDB
UniChem

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Similars

Article
PubMed
n/an/an/a 1.51E+5n/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...


J Med Chem 56: 2874-84 (2013)


Article DOI: 10.1021/jm301823g
BindingDB Entry DOI: 10.7270/Q2ZC85SH
More data for this
Ligand-Target Pair
Lysozyme(L99A)


(Enterobacteria phage T4)
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEBI
CHEMBL
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PC cid
PC sid
PDB
UniChem

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Similars

PDB
Article
PubMed
n/an/an/a 4.22E+5n/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Dissociation constant against T4 lysozyme mutant L99A


J Med Chem 48: 3714-28 (2005)


Article DOI: 10.1021/jm0491187
BindingDB Entry DOI: 10.7270/Q2VT1SW6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)