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PubMed code 1995871

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453032
PNG
(CHEMBL2368632)
Show SMILES CCCN(CCC)[C@H]1C[C@H]1c1ccccc1O
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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453033
PNG
(CHEMBL2368621)
Show SMILES CCCN(CCC)[C@H]1C[C@H]1c1cccc(O)c1
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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50368163
PNG
(CHEMBL545098)
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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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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50368165
PNG
(CHEMBL540354)
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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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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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1.04E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011263
PNG
(7-Dipropylamino-7-methyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CCCN(CCC)C1(C)CCc2cccc(O)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)17(3)10-9-14-7-6-8-16(19)15(14)13-17/h6-8,19H,4-5,9-13H2,1-3H3
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1.13E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011257
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-/m1/s1
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1.39E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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2.02E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011249
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-/m1/s1
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2.81E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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2.92E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011253
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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>1.00E+4n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011258
PNG
(7-Dipropylamino-6,6-dimethyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)C1Cc2c(O)cccc2CC1(C)C
Show InChI InChI=1S/C18H29NO/c1-5-10-19(11-6-2)17-12-15-14(13-18(17,3)4)8-7-9-16(15)20/h7-9,17,20H,5-6,10-13H2,1-4H3
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>1.00E+4n/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.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50011255
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+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/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.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%