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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for monomerid = 50044140   
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
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114354
BindingDB Entry DOI: 10.7270/Q28919ZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NR1/NR2A receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 21: 2059-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.009
BindingDB Entry DOI: 10.7270/Q26W9DXX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assesse...


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 3.31E+3n/an/an/an/a7.6n/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced cur...


Bioorg Med Chem 22: 1983-92 (2014)


Article DOI: 10.1016/j.bmc.2014.02.049
BindingDB Entry DOI: 10.7270/Q2N29ZGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NR1/NR2B receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 21: 2059-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.009
BindingDB Entry DOI: 10.7270/Q26W9DXX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assess...


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 4


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of sodium channels through tonic blockade


J Med Chem 46: 2494-501 (2003)


Article DOI: 10.1021/jm020546r
BindingDB Entry DOI: 10.7270/Q2MW2GHF
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50044140
PNG
(2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone | ...)
Show SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
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n/an/a 2.30E+6n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of sodium channels through phasic blockade


J Med Chem 46: 2494-501 (2003)


Article DOI: 10.1021/jm020546r
BindingDB Entry DOI: 10.7270/Q2MW2GHF
More data for this
Ligand-Target Pair