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Compile Data Set for Download or QSAR

Found 1638 hits with Last Name = 'roberts' and Initial = 'ad'   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50240606
PNG
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3
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8.5n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379818
PNG
(CHEMBL2011563)
Show SMILES C1CCc2c(C1)cccc2C1CC[NH2+]CC1
Show InChI InChI=1S/C15H21N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h3,5,7,13,16H,1-2,4,6,8-11H2/p+1
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379818
PNG
(CHEMBL2011563)
Show SMILES C1CCc2c(C1)cccc2C1CC[NH2+]CC1
Show InChI InChI=1S/C15H21N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h3,5,7,13,16H,1-2,4,6,8-11H2/p+1
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55n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379817
PNG
(CHEMBL2011562)
Show SMILES C1CC(CC[NH2+]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H17N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2/p+1
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60n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379817
PNG
(CHEMBL2011562)
Show SMILES C1CC(CC[NH2+]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H17N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2/p+1
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72n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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214n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379822
PNG
(CHEMBL2011567)
Show SMILES Clc1cccc(c1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
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280n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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296n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379821
PNG
(CHEMBL2011565)
Show SMILES FC(F)(F)c1cccc(c1)C1=CCNCC1 |t:11|
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-4,8,16H,5-7H2
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298n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379822
PNG
(CHEMBL2011567)
Show SMILES Clc1cccc(c1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
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318n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379821
PNG
(CHEMBL2011565)
Show SMILES FC(F)(F)c1cccc(c1)C1=CCNCC1 |t:11|
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-4,8,16H,5-7H2
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365n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379819
PNG
(CHEMBL2011564)
Show SMILES C1CC(CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
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366n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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445n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379819
PNG
(CHEMBL2011564)
Show SMILES C1CC(CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
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612n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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632n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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710n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379811
PNG
(CHEMBL2011554)
Show SMILES FC(F)(F)c1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
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826n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379800
PNG
(CHEMBL2011556)
Show SMILES Clc1cccc(c1)C1CC[NH2+]CC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2/p+1
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931n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379815
PNG
(CHEMBL2011560)
Show SMILES Cc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C13H19N/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12/h3-5,12,14H,6-9H2,1-2H3
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1.16E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379800
PNG
(CHEMBL2011556)
Show SMILES Clc1cccc(c1)C1CC[NH2+]CC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2/p+1
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1.43E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379810
PNG
(CHEMBL2011553)
Show SMILES FC(F)(F)c1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2
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1.55E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379808
PNG
(CHEMBL2011551)
Show SMILES COc1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10/h2-5,10,13H,6-9H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379823
PNG
(CHEMBL2011569)
Show SMILES Brc1ccc(cc1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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2.54E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50036712
PNG
(4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine | ...)
Show SMILES Clc1ccc(cc1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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3.10E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
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3.13E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379805
PNG
(CHEMBL2011549)
Show SMILES Cc1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
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3.17E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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5.50E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for 5-hydroxytryptamine 2C receptor was measured in rat cortex homogenates.


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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5.62E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for Alpha-2 adrenergic receptor was measured in rat cortex homogenates.


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379807
PNG
(CHEMBL2011550)
Show SMILES COc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10/h2-4,9-10,13H,5-8H2,1H3
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6.19E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50036718
PNG
(4-Phenyl-1,2,3,6-tetrahydro-pyridine | 4-phenyl-1,...)
Show SMILES C1CC(=CCN1)c1ccccc1 |c:2|
Show InChI InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
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7.18E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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7.94E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for 5-hydroxytryptamine 2A receptor was measured in rat cortex homogenates


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379809
PNG
(CHEMBL2011552)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2
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8.32E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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9.33E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for 5-hydroxytryptamine 1A receptor was measured in rat cortex homogenates.


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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1.00E+4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for 5-hydroxytryptamine 1D receptor was measured in calf caudate homogenate


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379804
PNG
(CHEMBL2011547)
Show SMILES Cc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379806
PNG
(CHEMBL2010811)
Show SMILES COc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379812
PNG
(CHEMBL2011555)
Show SMILES Clc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379813
PNG
(CHEMBL2011558)
Show SMILES Fc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379816
PNG
(CHEMBL2011561)
Show SMILES CN(C)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C13H20N2/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-6,12,14H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379814
PNG
(CHEMBL2011559)
Show SMILES Oc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C11H15NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,8-9,12-13H,4-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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1.07E+4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for Dopamine receptor D2 was measured in rat cortex homogenates


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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1.12E+4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for Alpha-1 adrenergic receptor was measured in rat cortex homogenates


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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3.24E+4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for Dopamine receptor D1 was measured in rat cortex homogenates.


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50471285
PNG
(CHEMBL76480)
Show SMILES CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Show InChI InChI=1S/C20H26N4O4/c1-4-28-19(26)18-14(8-9-23(2)3)15-11-13(5-6-16(15)22-18)7-10-24-17(25)12-21-20(24)27/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,21,27)
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4.57E+4n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Affinity pKi for Beta adrenergic receptor was measured in rat cortex homogenates


J Med Chem 40: 2347-62 (1997)


Article DOI: 10.1021/jm9605849
BindingDB Entry DOI: 10.7270/Q2QZ2DN1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008022
PNG
((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589702
PNG
(CHEMBL5186190)
Show SMILES Cl.NC\C(=C/F)[C@@H]1Cc2ccccc2O1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
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