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Compile Data Set for Download or QSAR

Found 703 hits with Last Name = 'jansen' and Initial = 'jm'   
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))
BDBM50036286
PNG
((R)-(-)-10-methyl-11-hydroxyaporphine | (R)-6,10-d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052859
PNG
((R)-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]...)
Show SMILES Cc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C17H17NO/c1-10-5-6-12-9-14-15-11(7-8-18-14)3-2-4-13(15)16(12)17(10)19/h2-6,14,18-19H,7-9H2,1H3/t14-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052864
PNG
((R)-11-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016007
PNG
((R)-11-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES COc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C18H19NO/c1-19-10-9-12-5-3-7-14-17(12)15(19)11-13-6-4-8-16(20-2)18(13)14/h3-8,15H,9-11H2,1-2H3/t15-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052873
PNG
((R)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1...)
Show SMILES Oc1cccc2C[C@H]3NCCc4cccc(c34)-c12
Show InChI InChI=1S/C16H15NO/c18-14-6-2-4-11-9-13-15-10(7-8-17-13)3-1-5-12(15)16(11)14/h1-6,13,17-18H,7-9H2/t13-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052863
PNG
((R)-6-Methyl-11-vinyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C=C)c-31
Show InChI InChI=1S/C19H19N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h3-9,17H,1,10-12H2,2H3/t17-/m1/s1
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6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052848
PNG
((R)-11-Methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4...)
Show SMILES COc1c(C)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21NO/c1-12-7-8-14-11-16-17-13(9-10-20(16)2)5-4-6-15(17)18(14)19(12)21-3/h4-8,16H,9-11H2,1-3H3/t16-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052875
PNG
(CHEMBL333836 | Trifluoro-methanesulfonic acid (R)-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c-31
Show InChI InChI=1S/C18H16F3NO3S/c1-22-9-8-11-4-2-6-13-16(11)14(22)10-12-5-3-7-15(17(12)13)25-26(23,24)18(19,20)21/h2-7,14H,8-10H2,1H3/t14-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052871
PNG
((R)-11-Methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES COc1cccc2C[C@H]3NCCc4cccc(c34)-c12
Show InChI InChI=1S/C17H17NO/c1-19-15-7-3-5-12-10-14-16-11(8-9-18-14)4-2-6-13(16)17(12)15/h2-7,14,18H,8-10H2,1H3/t14-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052846
PNG
((R)-10-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1ccc2C[C@H]3N(C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H21NO/c1-3-12-7-8-14-11-16-17-13(9-10-20(16)2)5-4-6-15(17)18(14)19(12)21/h4-8,16,21H,3,9-11H2,1-2H3/t16-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052856
PNG
((R)-11-Methoxy-10-methyl-6-propyl-5,6,6a,7-tetrahy...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(OC)c-31
Show InChI InChI=1S/C21H25NO/c1-4-11-22-12-10-15-6-5-7-17-19(15)18(22)13-16-9-8-14(2)21(23-3)20(16)17/h5-9,18H,4,10-13H2,1-3H3/t18-/m1/s1
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10.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052851
PNG
((R)-10-Methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
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12.3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052855
PNG
((R)-11-Methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-di...)
Show SMILES COc1c(C)ccc2C[C@H]3NCCc4cccc(c34)-c12
Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19-15)4-3-5-14(16)17(13)18(11)20-2/h3-7,15,19H,8-10H2,1-2H3/t15-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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12.7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052867
PNG
((R)-6,11-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
Show InChI InChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
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14.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052858
PNG
((R)-10-Ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahyd...)
Show SMILES CCc1ccc2C[C@H]3N(C)CCc4cccc(c34)-c2c1OC
Show InChI InChI=1S/C20H23NO/c1-4-13-8-9-15-12-17-18-14(10-11-21(17)2)6-5-7-16(18)19(15)20(13)22-3/h5-9,17H,4,10-12H2,1-3H3/t17-/m1/s1
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17.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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20.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-SCH-23,390 binding to rat striatal Dopamine receptor D1


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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20.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at Dopamine receptor D1 of rat striatum by [3H]-SCH-23,390 displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052870
PNG
((R)-11-(2-Methoxy-phenyl)-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1ccccc1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C24H23NO/c1-25-14-13-16-7-5-11-20-23-17(15-21(25)24(16)20)8-6-10-19(23)18-9-3-4-12-22(18)26-2/h3-12,21H,13-15H2,1-2H3/t21-/m1/s1
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26.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052876
PNG
((R)-11-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC)c-31
Show InChI InChI=1S/C20H23NO/c1-3-11-21-12-10-14-6-4-8-16-19(14)17(21)13-15-7-5-9-18(22-2)20(15)16/h4-9,17H,3,10-13H2,1-2H3/t17-/m1/s1
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31.3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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39.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052877
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C#N)c-31
Show InChI InChI=1S/C18H16N2/c1-20-9-8-12-4-3-7-15-17-13(10-16(20)18(12)15)5-2-6-14(17)11-19/h2-7,16H,8-10H2,1H3/t16-/m1/s1
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41.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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 |r|
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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41.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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 |r|
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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41.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052879
PNG
(1-((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C(C)=O)c-31
Show InChI InChI=1S/C19H19NO/c1-12(21)15-7-4-6-14-11-17-19-13(9-10-20(17)2)5-3-8-16(19)18(14)15/h3-8,17H,9-11H2,1-2H3/t17-/m1/s1
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57.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052864
PNG
((R)-11-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
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79.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052865
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc3-c4ccccc4C[C@@H]1c23
Show InChI InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3/t16-/m1/s1
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80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052852
PNG
((R)-11-Methoxy-6-methyl-10-vinyl-5,6,6a,7-tetrahyd...)
Show SMILES COc1c(C=C)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C20H21NO/c1-4-13-8-9-15-12-17-18-14(10-11-21(17)2)6-5-7-16(18)19(15)20(13)22-3/h4-9,17H,1,10-12H2,2-3H3/t17-/m1/s1
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108n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052862
PNG
(1-((R)-11-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1c(ccc2C[C@H]3N(C)CCc4cccc(c34)-c12)C(C)=O
Show InChI InChI=1S/C20H21NO2/c1-12(22)15-8-7-14-11-17-18-13(9-10-21(17)2)5-4-6-16(18)19(14)20(15)23-3/h4-8,17H,9-11H2,1-3H3/t17-/m1/s1
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150n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052863
PNG
((R)-6-Methyl-11-vinyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C=C)c-31
Show InChI InChI=1S/C19H19N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h3-9,17H,1,10-12H2,2H3/t17-/m1/s1
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177n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052877
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C#N)c-31
Show InChI InChI=1S/C18H16N2/c1-20-9-8-12-4-3-7-15-17-13(10-16(20)18(12)15)5-2-6-14(17)11-19/h2-7,16H,8-10H2,1H3/t16-/m1/s1
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183n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052875
PNG
(CHEMBL333836 | Trifluoro-methanesulfonic acid (R)-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c-31
Show InChI InChI=1S/C18H16F3NO3S/c1-22-9-8-11-4-2-6-13-16(11)14(22)10-12-5-3-7-15(17(12)13)25-26(23,24)18(19,20)21/h2-7,14H,8-10H2,1H3/t14-/m1/s1
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195n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052868
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C(N)=O)c-31
Show InChI InChI=1S/C18H18N2O/c1-20-9-8-11-4-2-6-13-16-12(10-15(20)17(11)13)5-3-7-14(16)18(19)21/h2-7,15H,8-10H2,1H3,(H2,19,21)/t15-/m1/s1
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198n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052867
PNG
((R)-6,11-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
Show InChI InChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
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201n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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233n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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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236n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-SCH-23,390 binding to rat striatal Dopamine receptor D1


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(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 |r|
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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236n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at Dopamine receptor D1 of rat striatum by [3H]-SCH-23,390 displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052856
PNG
((R)-11-Methoxy-10-methyl-6-propyl-5,6,6a,7-tetrahy...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(OC)c-31
Show InChI InChI=1S/C21H25NO/c1-4-11-22-12-10-15-6-5-7-17-19(15)18(22)13-16-9-8-14(2)21(23-3)20(16)17/h5-9,18H,4,10-13H2,1-3H3/t18-/m1/s1
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238n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052857
PNG
((R)-6-Isopropyl-10-methyl-5,6,6a,7-tetrahydro-4H-d...)
Show SMILES CC(C)N1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C20H23NO/c1-12(2)21-10-9-14-5-4-6-16-18(14)17(21)11-15-8-7-13(3)20(22)19(15)16/h4-8,12,17,22H,9-11H2,1-3H3/t17-/m1/s1
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241n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052848
PNG
((R)-11-Methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4...)
Show SMILES COc1c(C)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21NO/c1-12-7-8-14-11-16-17-13(9-10-20(16)2)5-4-6-15(17)18(14)19(12)21-3/h4-8,16H,9-11H2,1-3H3/t16-/m1/s1
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248n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052851
PNG
((R)-10-Methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
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249n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50052864
PNG
((R)-11-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
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270n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-SCH-23,390 binding to rat striatal Dopamine receptor D1


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50052877
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C#N)c-31
Show InChI InChI=1S/C18H16N2/c1-20-9-8-12-4-3-7-15-17-13(10-16(20)18(12)15)5-2-6-14(17)11-19/h2-7,16H,8-10H2,1H3/t16-/m1/s1
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279n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-SCH-23,390 binding to rat striatal Dopamine receptor D1


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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 |r|
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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296n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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 |r|
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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296n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
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