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Compile Data Set for Download or QSAR

Found 164 hits Enz. Inhib. hit(s) with all data for entry = 50014890   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580818
PNG
(CHEMBL5087472)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580831
PNG
(CHEMBL5084344)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580827
PNG
(CHEMBL5081133)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580832
PNG
(CHEMBL5089000)
Show SMILES CCC(=O)N(CC1(CCSCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580820
PNG
(CHEMBL5094913)
Show SMILES CCC(=O)N(Cc1ccccc1)CC1(CC1)N1CCN(Cc2ccccc2)CC1
PDB

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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580827
PNG
(CHEMBL5081133)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580824
PNG
(CHEMBL5076404)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccn1
PDB

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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580822
PNG
(CHEMBL5075502)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1F
PDB

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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580821
PNG
(CHEMBL5089489)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1O
PDB

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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580813
PNG
(CHEMBL5077038)
Show SMILES CC(C)(CNc1ccccc1)N1CCN(Cc2ccccc2)CC1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580823
PNG
(CHEMBL5094899)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
PDB

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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580816
PNG
(CHEMBL5084697)
Show SMILES CCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580830
PNG
(CHEMBL5070613)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580822
PNG
(CHEMBL5075502)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1F
PDB

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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396352
PNG
(CHEMBL2170062)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580837
PNG
(CHEMBL5079816)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580830
PNG
(CHEMBL5070613)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580814
PNG
(CHEMBL5077829)
Show SMILES CCC(=O)N(CC1(CCCCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580851
PNG
(CHEMBL5080761)
Show SMILES CCCOCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580823
PNG
(CHEMBL5094899)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
PDB

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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580846
PNG
(CHEMBL5089766)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOC(C)C)CC1)c1cccc(n1)C(F)(F)F
PDB

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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580831
PNG
(CHEMBL5084344)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580826
PNG
(CHEMBL5073189)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1C(F)(F)F
PDB

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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580825
PNG
(CHEMBL5083736)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1F
PDB

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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580838
PNG
(CHEMBL5085771)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CC1)C(C)c1ccccc1)c1cccc(n1)C(F)(F)F
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580837
PNG
(CHEMBL5079816)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580826
PNG
(CHEMBL5073189)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1C(F)(F)F
PDB

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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580852
PNG
(CHEMBL5091094)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCCOC)CC1)c1cccc(n1)C(F)(F)F
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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580829
PNG
(CHEMBL5080086)
Show SMILES CCC(=O)N(CC1(COC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580818
PNG
(CHEMBL5087472)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580814
PNG
(CHEMBL5077829)
Show SMILES CCC(=O)N(CC1(CCCCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580849
PNG
(CHEMBL5092587)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580832
PNG
(CHEMBL5089000)
Show SMILES CCC(=O)N(CC1(CCSCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580817
PNG
(CHEMBL5075152)
Show SMILES COCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580848
PNG
(CHEMBL5087458)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(C)C)CC1)c1cccc(n1)C(F)(F)F
PDB

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49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580849
PNG
(CHEMBL5092587)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580850
PNG
(CHEMBL5084395)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(F)(F)F)CC1)c1cccc(n1)C(F)(F)F
PDB

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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580846
PNG
(CHEMBL5089766)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOC(C)C)CC1)c1cccc(n1)C(F)(F)F
PDB

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54n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580819
PNG
(CHEMBL5070185)
Show SMILES COCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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54n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580848
PNG
(CHEMBL5087458)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(C)C)CC1)c1cccc(n1)C(F)(F)F
PDB

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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580835
PNG
(CHEMBL5089365)
Show SMILES CCC(=O)N(CC1(CCOCC1)C1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580834
PNG
(CHEMBL5074927)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CC2CN(Cc3ccccc3)CC2C1)c1cccc(n1)C(F)(F)F
PDB

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64n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580840
PNG
(CHEMBL5078587)
Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CC(O)c2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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65n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580819
PNG
(CHEMBL5070185)
Show SMILES COCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
PDB

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72n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580842
PNG
(CHEMBL5083271)
Show SMILES CCCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
PDB

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73n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580825
PNG
(CHEMBL5083736)
Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1F
PDB

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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580835
PNG
(CHEMBL5089365)
Show SMILES CCC(=O)N(CC1(CCOCC1)C1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

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82n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
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