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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'gardner' and Initial = 'mp'   
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))
BDBM50214523
PNG
((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50254065
PNG
(CHEMBL513174 | MCL-515 | R(-)-2-methoxy-11-acetylo...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1cccc(OC(C)=O)c-31 |r|
Show InChI InChI=1S/C22H25NO3/c1-4-9-23-10-8-16-11-17(25-3)13-18-21(16)19(23)12-15-6-5-7-20(22(15)18)26-14(2)24/h5-7,11,13,19H,4,8-10,12H2,1-3H3/t19-/m1/s1
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18.9n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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21.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86892
PNG
((R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2C1Cc1cccc(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
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26.5n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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28.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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28.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86893
PNG
(2-Methoxy-11-hydroxyaporphine | CAS_24766199 | NSC...)
Show SMILES COc1cc2CCN(C)C3Cc4cccc(O)c4-c(c1)c23
Show InChI InChI=1S/C18H19NO2/c1-19-7-6-12-8-13(21-2)10-14-17(12)15(19)9-11-4-3-5-16(20)18(11)14/h3-5,8,10,15,20H,6-7,9H2,1-2H3
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46n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202291
PNG
(Acetic acid (R)-6-propyl-5,6,6a,7-tetrahydro-4H-di...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(C)=O)c-31 |r|
Show InChI InChI=1S/C21H23NO2/c1-3-11-22-12-10-15-6-4-8-17-20(15)18(22)13-16-7-5-9-19(21(16)17)24-14(2)23/h4-9,18H,3,10-13H2,1-2H3/t18-/m1/s1
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72.3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50254090
PNG
(CHEMBL468056 | Pentanoic acid (R)-2-methoxy-6-prop...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cc(OC)cc(c34)-c12 |r|
Show InChI InChI=1S/C25H31NO3/c1-4-6-10-23(27)29-22-9-7-8-17-15-21-24-18(11-13-26(21)12-5-2)14-19(28-3)16-20(24)25(17)22/h7-9,14,16,21H,4-6,10-13,15H2,1-3H3/t21-/m1/s1
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89n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251470
PNG
(CHEMBL480149 | R(-)2-(2-hydroxyethoxy)-11-hydroxy-...)
Show SMILES CCCN1CCc2cc(OCCO)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H25NO3/c1-2-7-22-8-6-15-11-16(25-10-9-23)13-17-20(15)18(22)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,23-24H,2,6-10,12H2,1H3/t18-/m1/s1
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97n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86898
PNG
((R)-(-)-N-ethyl-2-methoxy-11-hydroxynoraporphine |...)
Show SMILES CCN1CCc2cc(OC)cc-3c2C1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-3-20-8-7-13-9-14(22-2)11-15-18(13)16(20)10-12-5-4-6-17(21)19(12)15/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3
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130n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50214523
PNG
((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1
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137n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50254064
PNG
(Acetic acid (R)-2-methoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4cccc(OC(C)=O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C20H21NO3/c1-12(22)24-18-6-4-5-13-10-17-19-14(7-8-21(17)2)9-15(23-3)11-16(19)20(13)18/h4-6,9,11,17H,7-8,10H2,1-3H3/t17-/m1/s1
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165n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50252323
PNG
((R)-2-Methoxyaporphin-11-yl pentanoate | CHEMBL482...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(C)CCc4cc(OC)cc(c34)-c12 |r|
Show InChI InChI=1S/C23H27NO3/c1-4-5-9-21(25)27-20-8-6-7-15-13-19-22-16(10-11-24(19)2)12-17(26-3)14-18(22)23(15)20/h6-8,12,14,19H,4-5,9-11,13H2,1-3H3/t19-/m1/s1
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192n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
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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216n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251444
PNG
((R)-6-Methyl-11-propoxy-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
Show InChI InChI=1S/C20H23NO2/c1-3-9-23-18-6-4-5-13-11-17-19-14(7-8-21(17)2)10-15(22)12-16(19)20(13)18/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1
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230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251442
PNG
((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r|
Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1
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230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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271n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50251445
PNG
((R)-11-(2-Hydroxy-ethoxy)-6-methyl-5,6,6a,7-tetrah...)
Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r|
Show InChI InChI=1S/C19H21NO3/c1-20-6-5-13-9-14(22)11-15-18(13)16(20)10-12-3-2-4-17(19(12)15)23-8-7-21/h2-4,9,11,16,21-22H,5-8,10H2,1H3/t16-/m1/s1
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289n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50214521
PNG
((R)-10-hydroxymethyl-6-propyl-5,6,6a,7-tetrahydro-...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-13-4-3-5-16-18(13)17(21)11-14-6-7-15(12-22)20(23)19(14)16/h3-7,17,22-23H,2,8-12H2,1H3/t17-/m1/s1
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375n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50251443
PNG
((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1
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432n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50214520
PNG
((R)-2-methoxy-10-methyl-6-propyl-5,6,6a,7-tetrahyd...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-16(24-3)12-17-19(15)18(22)11-14-6-5-13(2)21(23)20(14)17/h5-6,10,12,18,23H,4,7-9,11H2,1-3H3/t18-/m1/s1
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480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50254064
PNG
(Acetic acid (R)-2-methoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4cccc(OC(C)=O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C20H21NO3/c1-12(22)24-18-6-4-5-13-10-17-19-14(7-8-21(17)2)9-15(23-3)11-16(19)20(13)18/h4-6,9,11,17H,7-8,10H2,1-3H3/t17-/m1/s1
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526n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251443
PNG
((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1
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641n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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699n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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699n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007427
PNG
((R) 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2C1Cc1cccc(O)c-31
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
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699n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251441
PNG
((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r|
Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1
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731n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86896
PNG
(APOMORPHINE | CAS_314-19-2 | NSC_2215)
Show SMILES CN1CCc2cccc-3c2C1Cc1ccc(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
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1.01E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50251441
PNG
((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r|
Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50214520
PNG
((R)-2-methoxy-10-methyl-6-propyl-5,6,6a,7-tetrahyd...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-16(24-3)12-17-19(15)18(22)11-14-6-5-13(2)21(23)20(14)17/h5-6,10,12,18,23H,4,7-9,11H2,1-3H3/t18-/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from rat dopamine D2 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50214523
PNG
((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1
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1.39E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50252323
PNG
((R)-2-Methoxyaporphin-11-yl pentanoate | CHEMBL482...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(C)CCc4cc(OC)cc(c34)-c12 |r|
Show InChI InChI=1S/C23H27NO3/c1-4-5-9-21(25)27-20-8-6-7-15-13-19-22-16(10-11-24(19)2)12-17(26-3)14-18(22)23(15)20/h6-8,12,14,19H,4-5,9-11,13H2,1-3H3/t19-/m1/s1
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1.48E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50251442
PNG
((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r|
Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86895
PNG
(2-methoxy-11-hydroxy-N-propylnoraporphine | CAS_24...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2C1Cc1cccc(O)c-31
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-9-7-14-10-15(23-2)12-16-19(14)17(21)11-13-5-4-6-18(22)20(13)16/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3
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1.69E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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1.78E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50251444
PNG
((R)-6-Methyl-11-propoxy-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
Show InChI InChI=1S/C20H23NO2/c1-3-9-23-18-6-4-5-13-11-17-19-14(7-8-21(17)2)10-15(22)12-16(19)20(13)18/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1
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1.81E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50214521
PNG
((R)-10-hydroxymethyl-6-propyl-5,6,6a,7-tetrahydro-...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-13-4-3-5-16-18(13)17(21)11-14-6-7-15(12-22)20(23)19(14)16/h3-7,17,22-23H,2,8-12H2,1H3/t17-/m1/s1
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1.98E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50251441
PNG
((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r|
Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1
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2.66E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50214520
PNG
((R)-2-methoxy-10-methyl-6-propyl-5,6,6a,7-tetrahyd...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-16(24-3)12-17-19(15)18(22)11-14-6-5-13(2)21(23)20(14)17/h5-6,10,12,18,23H,4,7-9,11H2,1-3H3/t18-/m1/s1
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2.79E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251445
PNG
((R)-11-(2-Hydroxy-ethoxy)-6-methyl-5,6,6a,7-tetrah...)
Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r|
Show InChI InChI=1S/C19H21NO3/c1-20-6-5-13-9-14(22)11-15-18(13)16(20)10-12-3-2-4-17(19(12)15)23-8-7-21/h2-4,9,11,16,21-22H,5-8,10H2,1H3/t16-/m1/s1
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3.34E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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3.41E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50251443
PNG
((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1
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3.68E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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3.76E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from rat dopamine D2 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50214521
PNG
((R)-10-hydroxymethyl-6-propyl-5,6,6a,7-tetrahydro-...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-13-4-3-5-16-18(13)17(21)11-14-6-7-15(12-22)20(23)19(14)16/h3-7,17,22-23H,2,8-12H2,1H3/t17-/m1/s1
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6.06E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from rat dopamine D2 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86897
PNG
(2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2C1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3
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6.45E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by PDSP Ki Database




J Med Chem 51: 983-7 (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q2V69H59
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50214523
PNG
((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from rat dopamine D2 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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9.65E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50251442
PNG
((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r|
Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum


Bioorg Med Chem Lett 18: 3971-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.016
BindingDB Entry DOI: 10.7270/Q2S46RRC
More data for this
Ligand-Target Pair
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