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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'vallgårda' and Initial = 'j'   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011261
PNG
((+)7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051944
PNG
(3-((1R,2S)-2-Dipropylamino-cyclopropyl)-phenol | C...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=2.2-3.2


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011252
PNG
(7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011252
PNG
(7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m0/s1
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2.84n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051945
PNG
(2-((1S,2R)-2-Dipropylamino-cyclopropyl)-4-fluoro-p...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1O
Show InChI InChI=1S/C15H22FNO/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3/t12-,14+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=2.7-3.6


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011246
PNG
(4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quin...)
Show SMILES CCCN1CCC[C@@H]2[C@@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h3,5,7,13-14,18H,2,4,6,8-11H2,1H3/t13-,14+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011247
PNG
(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011264
PNG
(2-(2-Dipropylamino-cyclopropyl)-phenol; hydrobromi...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1O
Show InChI InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17/h5-8,13-14,17H,3-4,9-11H2,1-2H3/t13-,14+/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=4.6-5.2


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011247
PNG
(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50453032
PNG
(CHEMBL2368632)
Show SMILES Br.CCCN(CCC)[C@H]1C[C@H]1c1ccccc1O |r|
Show InChI InChI=1S/C15H23NO.BrH/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17;/h5-8,13-14,17H,3-4,9-11H2,1-2H3;1H/t13-,14-;/m0./s1
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8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051959
PNG
(CHEMBL35584 | Dipropyl-((1R,2R)-2-thiophen-2-yl-cy...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1cccs1
Show InChI InChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3/t11-,12-/m1/s1
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=12-14


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
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12.2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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12.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051946
PNG
(CHEMBL37503 | Dipropyl-(2-thiophen-2-yl-cyclopropy...)
Show SMILES CCCN(CCC)C1CC1c1cccs1
Show InChI InChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=12-14


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051947
PNG
(CHEMBL287461 | [(1R,2S)-2-(2-Methoxy-phenyl)-cyclo...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1OC
Show InChI InChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-14(15)13-8-6-7-9-16(13)18-3/h6-9,14-15H,4-5,10-12H2,1-3H3/t14-,15+/m0/s1
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17n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=16-20


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50453033
PNG
(CHEMBL2368621)
Show SMILES Br.CCCN(CCC)[C@H]1C[C@H]1c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO.BrH/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12;/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3;1H/t14-,15-;/m0./s1
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17n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319664
PNG
((R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)...)
Show SMILES CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14?/m1/s1
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17.3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051958
PNG
(CHEMBL543530 | Dipropyl-(2-thiophen-3-yl-cycloprop...)
Show SMILES CCCN(CCC)C1CC1c1ccsc1
Show InChI InChI=1S/C13H21NS/c1-3-6-14(7-4-2)13-9-12(13)11-5-8-15-10-11/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=19-23


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051962
PNG
(CHEMBL542094 | [2-(2-Bromo-phenyl)-cyclopropyl]-di...)
Show SMILES CCCN(CCC)C1CC1c1ccccc1Br
Show InChI InChI=1S/C15H22BrN/c1-3-9-17(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16/h5-8,13,15H,3-4,9-11H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=20-23


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051949
PNG
((2-Phenyl-cyclopropyl)-dipropyl-amine; hydrochlori...)
Show SMILES CCCN(CCC)C1CC1c1ccccc1
Show InChI InChI=1S/C15H23N/c1-3-10-16(11-4-2)15-12-14(15)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=21-28


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319666
PNG
((S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m0/s1
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27.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319667
PNG
((R)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m1/s1
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30.6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011251
PNG
(4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quin...)
Show SMILES CCCN1CCC[C@H]2[C@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h3,5,7,13-14,18H,2,4,6,8-11H2,1H3/t13-,14+/m0/s1
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32n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319668
PNG
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m0/s1
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47.2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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49.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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50n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319659
PNG
(2-(bicyclo[2.2.1]heptan-2-ylamino)-5-isopropylthia...)
Show SMILES CC(C)c1sc(NC2CC3CCC2C3)nc1O
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)
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58n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051951
PNG
(CHEMBL544005 | [2-(2-Fluoro-phenyl)-cyclopropyl]-d...)
Show SMILES CCCN(CCC)C1CC1c1ccccc1F
Show InChI InChI=1S/C15H22FN/c1-3-9-17(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16/h5-8,13,15H,3-4,9-11H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=48-77


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
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60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=39-87


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051954
PNG
(CHEMBL553030 | [2-(4-Fluoro-phenyl)-cyclopropyl]-d...)
Show SMILES CCCN(CCC)C1CC1c1ccc(F)cc1
Show InChI InChI=1S/C15H22FN/c1-3-9-17(10-4-2)15-11-14(15)12-5-7-13(16)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3
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76n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=63-95


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051945
PNG
(2-((1S,2R)-2-Dipropylamino-cyclopropyl)-4-fluoro-p...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1O
Show InChI InChI=1S/C15H22FNO/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3/t12-,14+/m0/s1
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99n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=78-140


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051965
PNG
(CHEMBL539499 | [2-(3-Fluoro-phenyl)-cyclopropyl]-d...)
Show SMILES CCCN(CCC)C1CC1c1cccc(F)c1
Show InChI InChI=1S/C15H22FN/c1-3-8-17(9-4-2)15-11-14(15)12-6-5-7-13(16)10-12/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=85-130


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
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140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=89-280


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051956
PNG
(2-((1R,2S)-2-Dipropylamino-cyclopropyl)-phenol | C...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1O
Show InChI InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17/h5-8,13-14,17H,3-4,9-11H2,1-2H3/t13-,14+/m1/s1
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140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=100-230


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011248
PNG
(1-Propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@@H]12
Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-12-5-3-7-16(18)14(12)11-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15+/m0/s1
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151n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
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199n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=174-224


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319661
PNG
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
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227n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051950
PNG
(CHEMBL34652 | [(1S,2R)-2-(2-Methoxy-phenyl)-cyclop...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1OC
Show InChI InChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-14(15)13-8-6-7-9-16(13)18-3/h6-9,14-15H,4-5,10-12H2,1-3H3/t14-,15+/m1/s1
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230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=160-430


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051953
PNG
(CHEMBL544947 | [2-(2,3-Dichloro-phenyl)-cyclopropy...)
Show SMILES CCCN(CCC)C1CC1c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H21Cl2N/c1-3-8-18(9-4-2)14-10-12(14)11-6-5-7-13(16)15(11)17/h5-7,12,14H,3-4,8-10H2,1-2H3
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>300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
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329n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051945
PNG
(2-((1S,2R)-2-Dipropylamino-cyclopropyl)-4-fluoro-p...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1O
Show InChI InChI=1S/C15H22FNO/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3/t12-,14+/m0/s1
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348n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=184-503


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011262
PNG
(7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m0/s1
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394n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011260
PNG
(3-(2-Dipropylamino-cyclopropyl)-phenol; hydrobromi...)
Show SMILES CCCN(CCC)[C@@H]1C[C@H]1c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15+/m0/s1
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460n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=240-760


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368163
PNG
(CHEMBL545098)
Show SMILES CCCN(CCC)[C@@H]1C[C@@H]1c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15-/m1/s1
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501n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011256
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m1/s1
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656n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011256
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m1/s1
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656n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319661
PNG
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
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770n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051952
PNG
(CHEMBL34989 | Dipropyl-((1S,2S)-2-thiophen-2-yl-cy...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cccs1
Show InChI InChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3/t11-,12-/m0/s1
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820n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=710-980


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368165
PNG
(CHEMBL540354)
Show SMILES CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1O |r|
Show InChI InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17/h5-8,13-14,17H,3-4,9-11H2,1-2H3/t13-,14-/m1/s1
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923n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
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