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BDBM50044140 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone::2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine)::CHEMBL742::KETAMINE::Ketalar

SMILES: CNC1(CCCCC1=O)c1ccccc1Cl

InChI Key: InChIKey=YQEZLKZALYSWHR-UHFFFAOYSA-N

Data: 4 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50044140   
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
OPIATE Sigma


(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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PubMed
440n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 233: 597-602 (1985)


BindingDB Entry DOI: 10.7270/Q20R9MWQ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(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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PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Merz Co. GmbH & Co.

Curated by PDSP Ki Database




Neuropharmacology 34: 533-40 (1995)


BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
OPIATE Sigma


(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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1.45E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 233: 597-602 (1985)


BindingDB Entry DOI: 10.7270/Q20R9MWQ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(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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2.51E+3n/an/an/an/an/an/an/an/a



Merz Co. GmbH & Co.

Curated by PDSP Ki Database




Neuropharmacology 34: 533-40 (1995)


BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
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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Article
PubMed
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
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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PubMed
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
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
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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Article
PubMed
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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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PubMed
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
Butyrylcholinesterase (BuChE)


(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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
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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Article
PubMed
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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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Article
PubMed
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