BindingDB logo
myBDB logout

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  14 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 18 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
Sigma non-opioid intracellular receptor 1


(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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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
Ionotropic glutamate receptor NMDA 1/2D


(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
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
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)


Article DOI: 10.1016/0028-3908(95)00017-z
BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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
Ionotropic glutamate receptor NMDA 1/2D


(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
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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)


Article DOI: 10.1016/0028-3908(95)00017-z
BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q26W9DXX
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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
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
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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
Bile salt export pump (BSEP)


(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
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
Multidrug resistance-associated protein 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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
Canalicular multispecific organic anion transporter 1


(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
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
Canalicular multispecific organic anion transporter 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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
NR1/NR2A


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q26W9DXX
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
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
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
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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
NR1/NR2A


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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
NR1/NR2A


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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