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27 similar compounds to monomer 50373842

Compile data set for download or QSAR
Wt: 370.5
BDBM50048866
Purchase
Wt: 378.5
BDBM50048867
Wt: 288.4
BDBM50048874
Wt: 377.5
BDBM50054116
Wt: 287.4
BDBM50054117
Wt: 315.4
BDBM50054124
Wt: 329.5
BDBM50067013
Wt: 356.5
BDBM50145011
Wt: 370.5
BDBM50145012
Purchase
Wt: 356.5
BDBM50145013
Wt: 342.5
BDBM50145014
Wt: 370.5
BDBM50145015
Purchase
Wt: 370.5
BDBM50145019
Wt: 412.6
BDBM50145023
Wt: 370.5
BDBM50145025
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 50048866,50048867,50048874,50054116,50054117,50054124,50067013,50145011,50145012,50145013,50145014,50145015,50145019,50145023,50145025   
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


(Cavia porcellus (Guinea pig))
BDBM50145015
PNG
(1-Cyclohexyl-4-[3-((S)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum


J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-2 receptor (unknown origin)


Eur J Med Chem 147: 227-237 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine


Bioorg Med Chem 25: 4778-4799 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145019
PNG
(1-Cyclohexyl-4-[3-(6-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1ccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc2c1
Show InChI InChI=1/C24H38N2O/c1-27-23-12-13-24-20(7-5-8-21(24)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h12-13,19-20,22H,2-11,14-18H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane


J Med Chem 54: 5858-67 (2011)


Article DOI: 10.1021/jm200591t
BindingDB Entry DOI: 10.7270/Q2KK9C5Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting metho...


J Med Chem 61: 9666-9690 (2018)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes


J Med Chem 61: 9666-9690 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum


J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay


Eur J Med Chem 46: 4733-41 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.057
BindingDB Entry DOI: 10.7270/Q2B56KQ5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50145012
PNG
(1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum


J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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0.670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes


J Med Chem 61: 9666-9690 (2018)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


J Med Chem 61: 9666-9690 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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1.48n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145013
PNG
(1-Cyclohexyl-4-[2-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C23H36N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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1.57n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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2.12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum


Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145015
PNG
(1-Cyclohexyl-4-[3-((S)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
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2.45n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145023
PNG
(1-Cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCCCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C27H44N2O/c1-30-27-17-10-15-25-23(12-9-16-26(25)27)11-5-2-3-8-18-28-19-21-29(22-20-28)24-13-6-4-7-14-24/h10,15,17,23-24H,2-9,11-14,16,18-22H2,1H3
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3.07n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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3.38n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048867
PNG
(1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...)
Show SMILES COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
Show InChI InChI=1/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to sigma receptor from guinea pig brain cortex membrane


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145011
PNG
(5-[3-(4-Cyclohexyl-piperazin-1-yl)-propyl]-5,6,7,8...)
Show SMILES Oc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C23H36N2O/c26-23-13-5-11-21-19(7-4-12-22(21)23)8-6-14-24-15-17-25(18-16-24)20-9-2-1-3-10-20/h5,11,13,19-20,26H,1-4,6-10,12,14-18H2
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5.40n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145012
PNG
(1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
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5.54n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048867
PNG
(1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...)
Show SMILES COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
Show InChI InChI=1/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
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7n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to sigma receptor from guinea pig brain cortex membrane


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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8.38n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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8.40n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50145025
PNG
(1-Cyclohexyl-4-[3-(7-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1/C24H38N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h12-13,19-20,22H,2-11,14-18H2,1H3
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9.04n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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11.1n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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13n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in human MCF7 cell membranes after 120 mins


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor in human MCF7 cells


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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13.6n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes


Bioorg Med Chem 25: 4778-4799 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


Eur J Med Chem 147: 227-237 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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18.2n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-pentazocine from sigma 1 receptor in rat whole brain


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50048867
PNG
(1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...)
Show SMILES COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
Show InChI InChI=1/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
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26n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibitory activity against Sigma opioid receptor type 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand.


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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29n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048867
PNG
(1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...)
Show SMILES COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
Show InChI InChI=1/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
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34.4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50048874
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCNCC3)CCCc12
Show InChI InChI=1/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
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35.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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71n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibitory activity against Sigma opioid receptor type 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand.


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50048874
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCNCC3)CCCc12
Show InChI InChI=1/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
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218n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...


J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145025
PNG
(1-Cyclohexyl-4-[3-(7-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1/C24H38N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h12-13,19-20,22H,2-11,14-18H2,1H3
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479n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]-spiroperidol displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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604n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]-spiroperidol displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50145013
PNG
(1-Cyclohexyl-4-[2-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C23H36N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50145012
PNG
(1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50145015
PNG
(1-Cyclohexyl-4-[3-((S)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
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