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PubMed code 1680195

Compile data set for download or QSAR
Found 20 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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity towards Dopamine receptor D2 in rat striatal membrane by using [3H]spiperone as radioligand


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a 138n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against dopamine receptor D1 in rat striatal membrane by using DA antagonist [3H]NPA


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a 203n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against dopamine receptor D1 in rat striatal membrane by using DA antagonist [3H]NPA


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 384n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity towards dopamine Dopamine receptor D1 in rat striatal membrane by using [3H]-SCH- 23390 as radiolig...


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


(Rattus norvegicus (rat))
BDBM50007573
PNG
(4-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiaz...)
Show SMILES CCCN1CCC=C(C1)c1csc(N)n1
Show InChI InChI=1S/C11H17N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h4,8H,2-3,5-7H2,1H3,(H2,12,13)
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n/an/a 574n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM50007570
PNG
(7-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]iso...)
Show SMILES CCCN1CC=C2C(CCc3sc(N)nc23)C1
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-10-9(8-16)3-4-11-12(10)15-13(14)17-11/h5,9H,2-4,6-8H2,1H3,(H2,14,15)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM50007575
PNG
(6-Propyl-4,5,5a,6,7,8,9,9a-octahydro-thiazolo[4,5-...)
Show SMILES CCCN1CCCC2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H21N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h9-10H,2-8H2,1H3,(H2,14,15)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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


(Rattus norvegicus (rat))
BDBM50007574
PNG
(7-Propyl-4,5,6,7,8,9-hexahydro-thiazolo[4,5-f]isoq...)
Show SMILES CCCN1CCC2=C(CCc3sc(N)nc23)C1
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-10-9(8-16)3-4-11-12(10)15-13(14)17-11/h2-8H2,1H3,(H2,14,15)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007573
PNG
(4-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiaz...)
Show SMILES CCCN1CCC=C(C1)c1csc(N)n1
Show InChI InChI=1S/C11H17N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h4,8H,2-3,5-7H2,1H3,(H2,12,13)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007569
PNG
(8-Propyl-4,5,6,7,8,9-hexahydro-thiazolo[5,4-h]isoq...)
Show SMILES CCCN1CCC2=C(C1)c1nc(N)sc1CC2
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-9-3-4-11-12(10(9)8-16)15-13(14)17-11/h2-8H2,1H3,(H2,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007570
PNG
(7-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]iso...)
Show SMILES CCCN1CC=C2C(CCc3sc(N)nc23)C1
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-10-9(8-16)3-4-11-12(10)15-13(14)17-11/h5,9H,2-4,6-8H2,1H3,(H2,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007571
PNG
(6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]qui...)
Show SMILES CCCN1CCC=C2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H19N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h4,10H,2-3,5-8H2,1H3,(H2,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007575
PNG
(6-Propyl-4,5,5a,6,7,8,9,9a-octahydro-thiazolo[4,5-...)
Show SMILES CCCN1CCCC2C1CCc1sc(N)nc21
Show InChI InChI=1S/C13H21N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h9-10H,2-8H2,1H3,(H2,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007574
PNG
(7-Propyl-4,5,6,7,8,9-hexahydro-thiazolo[4,5-f]isoq...)
Show SMILES CCCN1CCC2=C(CCc3sc(N)nc23)C1
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-10-9(8-16)3-4-11-12(10)15-13(14)17-11/h2-8H2,1H3,(H2,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390


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


(Rattus norvegicus (rat))
BDBM50007569
PNG
(8-Propyl-4,5,6,7,8,9-hexahydro-thiazolo[5,4-h]isoq...)
Show SMILES CCCN1CCC2=C(C1)c1nc(N)sc1CC2
Show InChI InChI=1S/C13H19N3S/c1-2-6-16-7-5-9-3-4-11-12(10(9)8-16)15-13(14)17-11/h2-8H2,1H3,(H2,14,15)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone


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