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3 similar compounds to monomer 50008558

Compile data set for download or QSAR
Wt: 106.1
BDBM50008556
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Wt: 106.1
BDBM50008560
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Wt: 106.1
BDBM50008567
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50008556,50008560,50008567   
Target/Host
(Institution)
LigandTarget/Host
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
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
PDB
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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
Cholinesterases; ACHE & BCHE


(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
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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
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008560
PNG
(1,2-Dimethylbenzol | 1,2-dimethylbenzene | 1,2-xyl...)
Show SMILES Cc1ccccc1C
Show InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
PDB
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


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))
BDBM50008560
PNG
(1,2-Dimethylbenzol | 1,2-dimethylbenzene | 1,2-xyl...)
Show SMILES Cc1ccccc1C
Show InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
PDB
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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
Lysozyme(L99A)


(Enterobacteria phage T4)
BDBM50008560
PNG
(1,2-Dimethylbenzol | 1,2-dimethylbenzene | 1,2-xyl...)
Show SMILES Cc1ccccc1C
Show InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
PDB
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Article
PubMed
n/an/an/a 4.70E+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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
PDB
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


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
Lysozyme(L99A)


(Enterobacteria phage T4)
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
PDB
MMDB

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CHEMBL
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UniChem

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Article
PubMed
n/an/an/a 3.64E+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
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

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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)
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

NCI pathway
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PC sid
PDB
UniChem

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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