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PubMed code 1433207

Compile data set for download or QSAR
Found 22 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))
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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n/an/a 4n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against 5-HT1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003342
PNG
(6-Bromo-9-methoxy-3-propyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCCN1CCc2c(Br)ccc(OC)c2CC1
Show InChI InChI=1S/C14H20BrNO/c1-3-8-16-9-6-11-12(7-10-16)14(17-2)5-4-13(11)15/h4-5H,3,6-10H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003348
PNG
(6-Methoxy-3-propyl-2,3,4,5-tetrahydro-1H-benzo[d]a...)
Show SMILES CCCN1CCc2cccc(OC)c2CC1
Show InChI InChI=1S/C14H21NO/c1-3-9-15-10-7-12-5-4-6-14(16-2)13(12)8-11-15/h4-6H,3,7-11H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003346
PNG
(3-Propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol...)
Show SMILES CCCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-9-6-11-4-3-5-13(15)12(11)7-10-14/h3-5,15H,2,6-10H2,1H3
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n/an/a 81n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003345
PNG
(3-Cyclopropylmethyl-6-methoxy-2,3,4,5-tetrahydro-1...)
Show SMILES COc1cccc2CCN(CC3CC3)CCc12
Show InChI InChI=1S/C15H21NO/c1-17-15-4-2-3-13-7-9-16(10-8-14(13)15)11-12-5-6-12/h2-4,12H,5-11H2,1H3
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n/an/a 120n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003347
PNG
(3-Ethyl-6-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CCN1CCc2cccc(OC)c2CC1
Show InChI InChI=1S/C13H19NO/c1-3-14-9-7-11-5-4-6-13(15-2)12(11)8-10-14/h4-6H,3,7-10H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003339
PNG
(3-Methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol...)
Show SMILES CN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C11H15NO/c1-12-7-5-9-3-2-4-11(13)10(9)6-8-12/h2-4,13H,5-8H2,1H3
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n/an/a 210n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003343
PNG
(3-Butyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol ...)
Show SMILES CCCCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C14H21NO/c1-2-3-9-15-10-7-12-5-4-6-14(16)13(12)8-11-15/h4-6,16H,2-3,7-11H2,1H3
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n/an/a 420n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003340
PNG
(6-Methoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]a...)
Show SMILES COc1cccc2CCN(C)CCc12
Show InChI InChI=1S/C12H17NO/c1-13-8-6-10-4-3-5-12(14-2)11(10)7-9-13/h3-5H,6-9H2,1-2H3
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n/an/a 480n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003341
PNG
(3-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol ...)
Show SMILES CCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C12H17NO/c1-2-13-8-6-10-4-3-5-12(14)11(10)7-9-13/h3-5,14H,2,6-9H2,1H3
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n/an/a 630n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003342
PNG
(6-Bromo-9-methoxy-3-propyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCCN1CCc2c(Br)ccc(OC)c2CC1
Show InChI InChI=1S/C14H20BrNO/c1-3-8-16-9-6-11-12(7-10-16)14(17-2)5-4-13(11)15/h4-5H,3,6-10H2,1-2H3
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n/an/a 680n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003347
PNG
(3-Ethyl-6-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CCN1CCc2cccc(OC)c2CC1
Show InChI InChI=1S/C13H19NO/c1-3-14-9-7-11-5-4-6-13(15-2)12(11)8-10-14/h4-6H,3,7-10H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003340
PNG
(6-Methoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]a...)
Show SMILES COc1cccc2CCN(C)CCc12
Show InChI InChI=1S/C12H17NO/c1-13-8-6-10-4-3-5-12(14-2)11(10)7-9-13/h3-5H,6-9H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003348
PNG
(6-Methoxy-3-propyl-2,3,4,5-tetrahydro-1H-benzo[d]a...)
Show SMILES CCCN1CCc2cccc(OC)c2CC1
Show InChI InChI=1S/C14H21NO/c1-3-9-15-10-7-12-5-4-6-14(16-2)13(12)8-11-15/h4-6H,3,7-11H2,1-2H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


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


(Rattus norvegicus (rat))
BDBM50003344
PNG
(3-Propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...)
Show SMILES CCCN1CCc2ccc(O)cc2CC1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-8-5-11-3-4-13(15)10-12(11)6-9-14/h3-4,10,15H,2,5-9H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against dopamine receptor in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003345
PNG
(3-Cyclopropylmethyl-6-methoxy-2,3,4,5-tetrahydro-1...)
Show SMILES COc1cccc2CCN(CC3CC3)CCc12
Show InChI InChI=1S/C15H21NO/c1-17-15-4-2-3-13-7-9-16(10-8-14(13)15)11-12-5-6-12/h2-4,12H,5-11H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003344
PNG
(3-Propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...)
Show SMILES CCCN1CCc2ccc(O)cc2CC1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-8-5-11-3-4-13(15)10-12(11)6-9-14/h3-4,10,15H,2,5-9H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003343
PNG
(3-Butyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol ...)
Show SMILES CCCCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C14H21NO/c1-2-3-9-15-10-7-12-5-4-6-14(16)13(12)8-11-15/h4-6,16H,2-3,7-11H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003341
PNG
(3-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol ...)
Show SMILES CCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C12H17NO/c1-2-13-8-6-10-4-3-5-12(14)11(10)7-9-13/h3-5,14H,2,6-9H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003339
PNG
(3-Methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol...)
Show SMILES CN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C11H15NO/c1-12-7-5-9-3-2-4-11(13)10(9)6-8-12/h2-4,13H,5-8H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50003346
PNG
(3-Propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol...)
Show SMILES CCCN1CCc2cccc(O)c2CC1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-9-6-11-4-3-5-13(15)12(11)7-10-14/h3-5,15H,2,6-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rats using [3H]-spiperone as radioligand


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