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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 249.3
BDBM50503049

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 38 hits in this display   
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


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from human recombinant sigma1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from human recombinant sigma1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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251n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT2B receptor stably expressed in HEK cells after 90 mins by microbeta scintillation counting metho...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
PDB
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575n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human recombinant adrenergic Beta2 receptor expressed in Flp-In HEK cells after 90 mins by microbeta scintillation...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [125I]-pindolol from human recombinant adrenergic Beta1 receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillati...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Mesulergine from human recombinant 5-HT2C receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEKT cells after 90 mins by microbeta scintillation c...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human recombinant dopamine D4 receptor expressed in Stable HEK cells after 90 mins by microbeta scintillati...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [125I]-Iodoaminopotentidine from human recombinant histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta sci...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M1 receptor expressed in stable CHO cells after 90 mins by microbet...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M2 receptor expressed in stable CHO cells after 90 mins by microbet...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from human recombinant DOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human recombinant KOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting metho...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human recombinant dopamine D5 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting m...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M5 receptor expressed in stable CHO cells after 90 mins by microbet...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human recombinant histamine H1 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation c...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M3 receptor expressed in stable CHO cells after 90 mins by microbet...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human recombinant 5-HT1D receptor transiently expressed in HEKT cells after 90 mins by microbeta scintillation counting...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human recombinant adrenergic alpha1A receptor expressed in cells after 90 mins by microbeta scintillation counting...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human recombinant dopamine D1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting m...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human recombinant adrenergic Alpha1B receptor expressed in HEKT cells after 90 mins by microbeta scintillation cou...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human recombinant 5-HT1B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting metho...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human recombinant dopamine D2 receptor expressed in stable fibroblast cells after 90 mins by microbeta sc...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Win35428 from human recombinant DAT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting met...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Histamine from human recombinant histamine H4 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M4 receptor expressed in stable CHO cells after 90 mins by microbet...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human recombinant MOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Rauwolscine from human recombinant adrenergic Alpha2B receptor expressed in HEKT cells after 90 mins by microbeta scintillation ...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human recombinant adrenergic Alpha1D receptor expressed in cells after 90 mins by microbeta scintillation counting...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR65630 from human recombinant 5-HT3 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-HT from human recombinant 5-HT1E receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from human recombinant sigma2 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human recombinant adrenergic Beta3 receptor expressed in Flp-In HEK cells after 90 mins by microbeta scintillation...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Rauwolscine from human recombinant adrenergic Alpha2C receptor expressed in stable MDCK cells after 90 mins by microbeta scintil...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50503049
PNG
(CHEMBL4447975)
Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Twin Cities

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from human recombinant NET receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting m...


ACS Med Chem Lett 10: 1436-1442 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00225
BindingDB Entry DOI: 10.7270/Q2DF6VGQ
More data for this
Ligand-Target Pair