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BDBM50176263 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol::CHEMBL1400::O-DESMETHYL TRAMADOL::Ultracet::rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

SMILES: CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1

InChI Key: InChIKey=UWJUQVWARXYRCG-HIFRSBDPSA-N

Data: 7 KI  6 IC50  2 EC50

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 15 hits for monomerid = 50176263   
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 203-8 (2008)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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11n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOR expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting method


ACS Med Chem Lett 7: 391-6 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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13n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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450n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 203-8 (2008)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 203-8 (2008)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT mediated 5-hydroxytryptamine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET mediated norepinephrine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ...


ACS Med Chem Lett 3: 227-231 (2012)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 18: 1674-80 (2008)

More data for this
Ligand-Target Pair