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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50148173   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50148173
PNG
(CHEMBL326854 | N-Benzyl-2-[2-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |t:8|
Show InChI InChI=1S/C28H31N5O/c1-31-16-18-32(19-17-31)28-30-25-15-9-8-14-24(25)26(33(28)23-12-6-3-7-13-23)20-27(34)29-21-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3,(H,29,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


Bioorg Med Chem Lett 27: 1179-1185 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.068
BindingDB Entry DOI: 10.7270/Q2P271CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50148173
PNG
(CHEMBL326854 | N-Benzyl-2-[2-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |t:8|
Show InChI InChI=1S/C28H31N5O/c1-31-16-18-32(19-17-31)28-30-25-15-9-8-14-24(25)26(33(28)23-12-6-3-7-13-23)20-27(34)29-21-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3,(H,29,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


Bioorg Med Chem Lett 27: 1179-1185 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.068
BindingDB Entry DOI: 10.7270/Q2P271CH
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50148173
PNG
(CHEMBL326854 | N-Benzyl-2-[2-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |t:8|
Show InChI InChI=1S/C28H31N5O/c1-31-16-18-32(19-17-31)28-30-25-15-9-8-14-24(25)26(33(28)23-12-6-3-7-13-23)20-27(34)29-21-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3,(H,29,34)
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PubMed
n/an/a 3.58E+4n/an/an/an/an/an/a



Institute of Science & Technology

Curated by ChEMBL


Assay Description
Concentration of the compounds required for inhibition of HEK293 cells (alpha1G T-type)


Bioorg Med Chem Lett 14: 3379-84 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.090
BindingDB Entry DOI: 10.7270/Q21Z43VJ
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50148173
PNG
(CHEMBL326854 | N-Benzyl-2-[2-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |t:8|
Show InChI InChI=1S/C28H31N5O/c1-31-16-18-32(19-17-31)28-30-25-15-9-8-14-24(25)26(33(28)23-12-6-3-7-13-23)20-27(34)29-21-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3,(H,29,34)
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Article
PubMed
n/an/a 3.58E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel alpha1G in HEK293 cells


Bioorg Med Chem Lett 20: 38-41 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.049
BindingDB Entry DOI: 10.7270/Q2MS3V0M
More data for this
Ligand-Target Pair