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: 5 KI  14 IC50

PDB links: 2 PDB IDs match 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 19 hits for monomerid = 50044140   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 receptor ionotropic, NMDA 1 (RAT)	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
NMDA receptor subtype 2A protein (NR2A) (Homo sapiens (Human))	BDBM50044140 (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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Binding affinity to NMDA receptor (unknown origin)				Bioorg Med Chem 27: 1226-1231 (2019) Article DOI: 10.1016/j.bmc.2019.02.010
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50044140 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50044140 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
NR1/NR2A (Homo sapiens (Human))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
NR1/NR2A (Homo sapiens (Human))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4) (Homo sapiens (Human))	BDBM50044140 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	7.6	n/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 Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50044140 (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 AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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