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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50044873   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034089
PNG
(CHEMBL3359238)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H22ClF2N3O/c1-13-17(20)19(26-11-5-10-25-8-3-2-4-9-25)24-18(23-13)14-6-7-15(21)16(22)12-14/h6-7,12H,2-5,8-11H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034088
PNG
(CHEMBL3359237)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034090
PNG
(CHEMBL3359239)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034086
PNG
(CHEMBL3359234)
Show SMILES Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C20H26ClN3O/c1-15-7-9-17(10-8-15)19-22-16(2)18(21)20(23-19)25-14-6-13-24-11-4-3-5-12-24/h7-10H,3-6,11-14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034084
PNG
(CHEMBL3359220)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Show InChI InChI=1S/C19H24ClN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034169
PNG
(CHEMBL3359229)
Show SMILES Cc1nc(nc(OCCCN2CCCC2)c1F)-c1ccccc1
Show InChI InChI=1S/C18H22FN3O/c1-14-16(19)18(23-13-7-12-22-10-5-6-11-22)21-17(20-14)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034186
PNG
(CHEMBL3359219)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1F)-c1ccccc1
Show InChI InChI=1S/C19H24FN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034160
PNG
(CHEMBL3359235)
Show SMILES COc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C20H26ClN3O2/c1-15-18(21)20(26-14-6-13-24-11-4-3-5-12-24)23-19(22-15)16-7-9-17(25-2)10-8-16/h7-10H,3-6,11-14H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034085
PNG
(CHEMBL3359230)
Show SMILES Cc1nc(nc(OCCCN2CCCC2)c1Cl)-c1ccccc1
Show InChI InChI=1S/C18H22ClN3O/c1-14-16(19)18(23-13-7-12-22-10-5-6-11-22)21-17(20-14)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3
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4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034087
PNG
(CHEMBL3359236)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23ClF3N3O/c1-14-17(21)19(28-13-5-12-27-10-3-2-4-11-27)26-18(25-14)15-6-8-16(9-7-15)20(22,23)24/h6-9H,2-5,10-13H2,1H3
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4.40n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034188
PNG
(CHEMBL3359218)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1C)-c1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-16-17(2)21-19(18-10-5-3-6-11-18)22-20(16)24-15-9-14-23-12-7-4-8-13-23/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3
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9.5n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034170
PNG
(CHEMBL3359228)
Show SMILES Cc1nc(nc(OCCCN2CCCC2)c1C)-c1ccccc1
Show InChI InChI=1S/C19H25N3O/c1-15-16(2)20-18(17-9-4-3-5-10-17)21-19(15)23-14-8-13-22-11-6-7-12-22/h3-5,9-10H,6-8,11-14H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034105
PNG
(CHEMBL3358640)
Show SMILES Cc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O/c1-16-15-18(21-19(20-16)17-9-4-2-5-10-17)23-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3
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12n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034240
PNG
(CHEMBL3358652)
Show SMILES Cc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O/c1-15-14-17(22-13-7-12-21-10-5-6-11-21)20-18(19-15)16-8-3-2-4-9-16/h2-4,8-9,14H,5-7,10-13H2,1H3
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14n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034095
PNG
(CHEMBL3358641)
Show SMILES CC1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H27N3O/c1-16-9-12-23(13-10-16)11-6-14-24-19-15-17(2)21-20(22-19)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034192
PNG
(CHEMBL3359214)
Show SMILES COc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O2/c1-23-17-15-18(21-19(20-17)16-9-4-2-5-10-16)24-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3
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19n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034177
PNG
(CHEMBL3359224)
Show SMILES COc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O2/c1-22-16-14-17(23-13-7-12-21-10-5-6-11-21)20-18(19-16)15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3
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19n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034253
PNG
(CHEMBL3358649)
Show SMILES CN1CCCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H28N4O/c1-17-16-19(22-20(21-17)18-8-4-3-5-9-18)25-15-7-12-24-11-6-10-23(2)13-14-24/h3-5,8-9,16H,6-7,10-15H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034236
PNG
(CHEMBL3359211)
Show SMILES CCc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-2-18-16-19(22-20(21-18)17-10-5-3-6-11-17)24-15-9-14-23-12-7-4-8-13-23/h3,5-6,10-11,16H,2,4,7-9,12-15H2,1H3
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21n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034184
PNG
(CHEMBL3359221)
Show SMILES CCc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O/c1-2-17-15-18(23-14-8-13-22-11-6-7-12-22)21-19(20-17)16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034369
PNG
(CHEMBL3358647)
Show SMILES CN1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C19H26N4O/c1-16-15-18(21-19(20-16)17-7-4-3-5-8-17)24-14-6-9-23-12-10-22(2)11-13-23/h3-5,7-8,15H,6,9-14H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034191
PNG
(CHEMBL3359215)
Show SMILES FC(F)(F)c1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H22F3N3O/c20-19(21,22)16-14-17(24-18(23-16)15-8-3-1-4-9-15)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14H,2,5-7,10-13H2
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28n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034175
PNG
(CHEMBL3359225)
Show SMILES FC(F)(F)c1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H20F3N3O/c19-18(20,21)15-13-16(25-12-6-11-24-9-4-5-10-24)23-17(22-15)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2
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28n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034094
PNG
(CHEMBL3358642)
Show SMILES CC1CC(C)CN(CCCOc2cc(C)nc(n2)-c2ccccc2)C1
Show InChI InChI=1S/C21H29N3O/c1-16-12-17(2)15-24(14-16)10-7-11-25-20-13-18(3)22-21(23-20)19-8-5-4-6-9-19/h4-6,8-9,13,16-17H,7,10-12,14-15H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034367
PNG
(CHEMBL3358648)
Show SMILES CCN1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H28N4O/c1-3-23-11-13-24(14-12-23)10-7-15-25-19-16-17(2)21-20(22-19)18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034235
PNG
(CHEMBL3359212)
Show SMILES CCCc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C21H29N3O/c1-2-10-19-17-20(23-21(22-19)18-11-5-3-6-12-18)25-16-9-15-24-13-7-4-8-14-24/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3
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35n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034097
PNG
(CHEMBL3358634)
Show SMILES Cc1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O2/c1-15-14-17(20-18(19-15)16-6-3-2-4-7-16)23-11-5-8-21-9-12-22-13-10-21/h2-4,6-7,14H,5,8-13H2,1H3
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36n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034182
PNG
(CHEMBL3359222)
Show SMILES CCCc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-2-9-18-16-19(24-15-8-14-23-12-6-7-13-23)22-20(21-18)17-10-4-3-5-11-17/h3-5,10-11,16H,2,6-9,12-15H2,1H3
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39n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034237
PNG
(CHEMBL3359210)
Show SMILES CCCN(CCC)CCCOc1cc(C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H29N3O/c1-4-12-23(13-5-2)14-9-15-24-19-16-17(3)21-20(22-19)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3
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39n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034106
PNG
(CHEMBL3359244)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)C1CC1
Show InChI InChI=1S/C16H24ClN3O/c1-12-14(17)16(19-15(18-12)13-6-7-13)21-11-5-10-20-8-3-2-4-9-20/h13H,2-11H2,1H3
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40n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034168
PNG
(CHEMBL3359231)
Show SMILES C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C21H27N3O/c1-3-9-17(10-4-1)20-22-19-12-7-11-18(19)21(23-20)25-16-8-15-24-13-5-2-6-14-24/h1,3-4,9-10H,2,5-8,11-16H2
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44n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034238
PNG
(CHEMBL3358654)
Show SMILES CCN(CC)CCCOc1cc(C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H25N3O/c1-4-21(5-2)12-9-13-22-17-14-15(3)19-18(20-17)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3
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47n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034107
PNG
(CHEMBL3359243)
Show SMILES Cc1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C14H22ClN3O/c1-11-13(15)14(17-12(2)16-11)19-10-6-9-18-7-4-3-5-8-18/h3-10H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034167
PNG
(CHEMBL3359232)
Show SMILES C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25N3O/c1-2-8-16(9-3-1)19-21-18-11-6-10-17(18)20(22-19)24-15-7-14-23-12-4-5-13-23/h1-3,8-9H,4-7,10-15H2
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59n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034239
PNG
(CHEMBL3358653)
Show SMILES CN(C)CCCOc1cc(C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C16H21N3O/c1-13-12-15(20-11-7-10-19(2)3)18-16(17-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3
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82n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034152
PNG
(CHEMBL3359240)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl3N3O/c1-13-17(22)19(26-11-5-10-25-8-3-2-4-9-25)24-18(23-13)14-6-7-15(20)16(21)12-14/h6-7,12H,2-5,8-11H2,1H3
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90n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034098
PNG
(CHEMBL3358635)
Show SMILES Cc1cc(OCCCCN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O2/c1-16-15-18(21-19(20-16)17-7-3-2-4-8-17)24-12-6-5-9-22-10-13-23-14-11-22/h2-4,7-8,15H,5-6,9-14H2,1H3
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95n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034109
PNG
(CHEMBL3359241)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H26ClN3O/c1-17-21(24)23(28-15-7-14-27-12-5-2-6-13-27)26-22(25-17)20-11-10-18-8-3-4-9-19(18)16-20/h3-4,8-11,16H,2,5-7,12-15H2,1H3
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102n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034164
PNG
(CHEMBL3352885)
Show SMILES C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCCC1
Show InChI InChI=1S/C21H27N3O/c1-2-9-17(10-3-1)20-22-19-12-5-4-11-18(19)21(23-20)25-16-8-15-24-13-6-7-14-24/h1-3,9-10H,4-8,11-16H2
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112n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034102
PNG
(CHEMBL3358638)
Show SMILES Cc1cc(OC\C=C\CN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H23N3O2/c1-16-15-18(21-19(20-16)17-7-3-2-4-8-17)24-12-6-5-9-22-10-13-23-14-11-22/h2-8,15H,9-14H2,1H3/b6-5+
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116n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034165
PNG
(CHEMBL3359233)
Show SMILES C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-3-10-18(11-4-1)21-23-20-13-6-5-12-19(20)22(24-21)26-17-9-16-25-14-7-2-8-15-25/h1,3-4,10-11H,2,5-9,12-17H2
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139n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034370
PNG
(CHEMBL3358646)
Show SMILES Cc1cc(OCCCN2CCNCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H24N4O/c1-15-14-17(21-18(20-15)16-6-3-2-4-7-16)23-13-5-10-22-11-8-19-9-12-22/h2-4,6-7,14,19H,5,8-13H2,1H3
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151n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034108
PNG
(CHEMBL3359242)
Show SMILES Cc1ncnc(OCCCN2CCCCC2)c1Cl
Show InChI InChI=1S/C13H20ClN3O/c1-11-12(14)13(16-10-15-11)18-9-5-8-17-6-3-2-4-7-17/h10H,2-9H2,1H3
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187n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034214
PNG
(CHEMBL3359213)
Show SMILES CC(C)c1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C21H29N3O/c1-17(2)19-16-20(23-21(22-19)18-10-5-3-6-11-18)25-15-9-14-24-12-7-4-8-13-24/h3,5-6,10-11,16-17H,4,7-9,12-15H2,1-2H3
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188n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034181
PNG
(CHEMBL3359223)
Show SMILES CC(C)c1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-16(2)18-15-19(24-14-8-13-23-11-6-7-12-23)22-20(21-18)17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3
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218n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034190
PNG
(CHEMBL3359216)
Show SMILES C(COc1cc(nc(n1)-c1ccccc1)C1CC1)CN1CCCCC1
Show InChI InChI=1S/C21H27N3O/c1-3-8-18(9-4-1)21-22-19(17-10-11-17)16-20(23-21)25-15-7-14-24-12-5-2-6-13-24/h1,3-4,8-9,16-17H,2,5-7,10-15H2
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253n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034174
PNG
(CHEMBL3359226)
Show SMILES C(COc1cc(nc(n1)-c1ccccc1)C1CC1)CN1CCCC1
Show InChI InChI=1S/C20H25N3O/c1-2-7-17(8-3-1)20-21-18(16-9-10-16)15-19(22-20)24-14-6-13-23-11-4-5-12-23/h1-3,7-8,15-16H,4-6,9-14H2
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278n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034091
PNG
(CHEMBL3358645)
Show SMILES Cc1cc(OCCCN2CCC(=O)CC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H23N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14H,5,8-13H2,1H3
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319n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034093
PNG
(CHEMBL3358643)
Show SMILES Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C23H33N3O/c1-18-17-20(25-21(24-18)19-11-7-6-8-12-19)27-16-10-15-26-22(2,3)13-9-14-23(26,4)5/h6-8,11-12,17H,9-10,13-16H2,1-5H3
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377n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50034099
PNG
(CHEMBL3358636)
Show SMILES Cc1cc(OCCCCCN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O2/c1-17-16-19(22-20(21-17)18-8-4-2-5-9-18)25-13-7-3-6-10-23-11-14-24-15-12-23/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
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389n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...


J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
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