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BDBM50062614 CHEMBL900::Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine::Disipal::Invagesic::N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine::Norflex::Norgesic::ORPHENADRINE::Orphengesic

SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1C

InChI Key: InChIKey=QVYRGXJJSLMXQH-UHFFFAOYSA-N

Data: 10 KI  14 IC50

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 24 hits for monomerid = 50062614   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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PubMed
40.7n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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PubMed
48n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)

More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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81.3n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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97.7n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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PubMed
120n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)

More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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129n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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141n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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170n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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213n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)

More data for this
Ligand-Target Pair
CHRM4


(Chick)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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214n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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PubMed
n/an/a 9.77E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ...


J Med Chem 55: 7054-60 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 162n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting


J Med Chem 55: 7054-60 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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PubMed
n/an/a 851n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)

More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 2


(Homo sapiens)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human MATE2-K expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay


J Med Chem 54: 4548-58 (2011)

More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay


J Med Chem 54: 4548-58 (2011)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(HUMAN)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay


J Med Chem 54: 4548-58 (2011)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(HUMAN)
BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay


J Med Chem 54: 4548-58 (2011)

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Ligand-Target Pair