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Compile Data Set for Download or QSAR

Found 1210 hits with Last Name = 'marquis' and Initial = 'k'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50109021
PNG
((R)-8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-c...)
Show SMILES O=c1[nH]c2ccc3CC[C@H](CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C18H19N3O2/c22-18-20-15-9-7-13-6-8-14(23-17(13)16(15)21-18)11-19-10-12-4-2-1-3-5-12/h1-5,7,9,14,19H,6,8,10-11H2,(H2,20,21,22)/t14-/m1/s1
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 0.0700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioliga...

Bioorg Med Chem Lett 12: 271-4 (2002)


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50109020
PNG
(8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-chrom...)
Show SMILES O=c1[nH]c2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C18H19N3O2/c22-18-20-15-9-7-13-6-8-14(23-17(13)16(15)21-18)11-19-10-12-4-2-1-3-5-12/h1-5,7,9,14,19H,6,8,10-11H2,(H2,20,21,22)
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 0.140n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioliga...

Bioorg Med Chem Lett 12: 271-4 (2002)


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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 0.140n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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 0.140n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioliga...

Bioorg Med Chem Lett 12: 271-4 (2002)


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077577
PNG
(7-Fluoro-4-{2-[3-(1H-indol-3-yl)-propylamino]-etho...)
Show SMILES Fc1ccc(OCCNCCCc2c[nH]c3ccccc23)c2CC(=O)Nc12
Show InChI InChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26)
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 0.150n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity towards dopamine D2 receptor using radioligand [3H]-spiperone in rat striatal membranes

Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081112
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3O2/c20-16-18-13-7-4-8-14(15(13)19-16)21-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,20)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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 0.190n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50061681
PNG
((R)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061684
PNG
(2-(Benzylamino-methyl)-chroman-7-ol; oxalic acid |...)
Show SMILES Oc1ccc2CCC(CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioliga...

Bioorg Med Chem Lett 12: 271-4 (2002)


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081107
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=S)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3OS/c17-12-8-13-15(20-16(22)19-13)14(9-12)21-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,22)
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 0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077578
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one |...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17-11-14-15(19-17)7-4-8-16(14)21-10-9-18-12-13-5-2-1-3-6-13/h1-8,18H,9-12H2,(H,19,20)
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 0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077578
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one |...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17-11-14-15(19-17)7-4-8-16(14)21-10-9-18-12-13-5-2-1-3-6-13/h1-8,18H,9-12H2,(H,19,20)
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 0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083280
PNG
(Adamantane-1-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:23:22:19:26.24.25,23:24:19:27.22.21|
Show InChI InChI=1S/C25H37N3O2/c1-18(26-24(29)25-14-19-11-20(15-25)13-21(12-19)16-25)17-27-7-9-28(10-8-27)22-5-3-4-6-23(22)30-2/h3-6,18-21H,7-17H2,1-2H3,(H,26,29)/t18-,19-,20+,21-,25?/m1/s1
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 0.220n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor

J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077602
PNG
(4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
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 0.230n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077580
PNG
(7-Chloro-4-{2-[(thiophen-3-ylmethyl)-amino]-ethoxy...)
Show SMILES Clc1ccc(OCCNCc2ccsc2)c2CC(=O)Nc12
Show InChI InChI=1S/C15H15ClN2O2S/c16-12-1-2-13(11-7-14(19)18-15(11)12)20-5-4-17-8-10-3-6-21-9-10/h1-3,6,9,17H,4-5,7-8H2,(H,18,19)
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 0.240n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083308
PNG
(CHEMBL555379 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:15:17:22:19.20.25,THB:18:17:22:19.20.25|
Show InChI InChI=1S/C23H33N3O2/c1-28-21-5-3-2-4-20(21)26-10-8-25(9-11-26)7-6-24-22(27)23-15-17-12-18(16-23)14-19(23)13-17/h2-5,17-19H,6-16H2,1H3,(H,24,27)/t17-,18?,19-,23?/m0/s1
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 0.240n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor

J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081106
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-8-13-15(20-16(21)19-13)14(9-12)22-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,21)
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 0.25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50316949
PNG
((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r|
Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1
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 0.260n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting

Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061636
PNG
(2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...)
Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl
Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061671
PNG
(3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...)
Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1
Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061665
PNG
(2-[(4-Chloro-benzylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCc3ccc(Cl)cc3)Oc2c1
Show InChI InChI=1S/C17H18ClNO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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 0.350n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity towards dopamine D2 receptor using radioligand [3H]-quinpirole in rat striatal membranes

Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061661
PNG
(2-[(3-Phenyl-propylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO2/c21-17-10-8-16-9-11-18(22-19(16)13-17)14-20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8,10,13,18,20-21H,4,7,9,11-12,14H2
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50109021
PNG
((R)-8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-c...)
Show SMILES O=c1[nH]c2ccc3CC[C@H](CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C18H19N3O2/c22-18-20-15-9-7-13-6-8-14(23-17(13)16(15)21-18)11-19-10-12-4-2-1-3-5-12/h1-5,7,9,14,19H,6,8,10-11H2,(H2,20,21,22)/t14-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D3 was determined using membranes from CHO cells labeled with [3H]spiperone

Bioorg Med Chem Lett 12: 271-4 (2002)


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50077569
PNG
(Benzyl-[(R)-1-(2,3,4,7-tetrahydro-pyrano[2,3-e]ind...)
Show SMILES C(NCc1ccccc1)[C@H]1CCc2ccc3[nH]ccc3c2O1
Show InChI InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)12-20-13-16-8-6-15-7-9-18-17(10-11-21-18)19(15)22-16/h1-5,7,9-11,16,20-21H,6,8,12-13H2/t16-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50077588
PNG
(CHEMBL59737 | [2-(1H-Indol-4-yloxy)-ethyl]-(4-phen...)
Show SMILES C(CCc1ccccc1)CNCCOc1cccc2[nH]ccc12
Show InChI InChI=1S/C20H24N2O/c1-2-7-17(8-3-1)9-4-5-13-21-15-16-23-20-11-6-10-19-18(20)12-14-22-19/h1-3,6-8,10-12,14,21-22H,4-5,9,13,15-16H2
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50302220
PNG
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)
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 0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay

Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077572
PNG
(4-(2-Benzylamino-ethoxy)-7-chloro-1,3-dihydro-indo...)
Show SMILES Clc1ccc(OCCNCc2ccccc2)c2CC(=O)Nc12
Show InChI InChI=1S/C17H17ClN2O2/c18-14-6-7-15(13-10-16(21)20-17(13)14)22-9-8-19-11-12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,20,21)
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 0.410n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083300
PNG
(Adamantane-1-carboxylic acid [(R)-1-benzyl-2-(4-py...)
Show SMILES O=C(N[C@@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:31:30:33:25.26.27,31:26:33:32.30.29|
Show InChI InChI=1S/C28H37N5O/c34-26(28-17-22-13-23(18-28)15-24(14-22)19-28)31-25(16-21-5-2-1-3-6-21)20-32-9-11-33(12-10-32)27-29-7-4-8-30-27/h1-8,22-25H,9-20H2,(H,31,34)/t22-,23+,24-,25-,28?/m1/s1
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 0.430n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor

J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077592
PNG
(7-Chloro-4-[2-(1,3-dihydro-isoindol-2-yl)-ethoxy]-...)
Show SMILES Clc1ccc(OCCN2Cc3ccccc3C2)c2CC(=O)Nc12
Show InChI InChI=1S/C18H17ClN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)
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 0.440n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061631
PNG
(2-{[3-(Benzooxazol-6-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ncoc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-19(14)10-15)12-21-8-1-9-24-16-6-7-18-20(11-16)25-13-22-18/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50061654
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chroman-...)
Show SMILES Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2
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antibodypedia
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested to inhibit Dopa accumulation in Dopamine receptor D3 at 10 mg/kg, sc

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50077563
PNG
(CHEMBL64420 | [2-(3-Chloro-1H-indol-4-yloxy)-ethyl...)
Show SMILES Clc1c[nH]c2cccc(OCCNCCCCc3ccccc3)c12
Show InChI InChI=1S/C20H23ClN2O/c21-17-15-23-18-10-6-11-19(20(17)18)24-14-13-22-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,15,22-23H,4-5,9,12-14H2
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A r receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates

J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061673
PNG
(2-{[3-(Quinolin-7-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4cccnc4c3)Oc2c1
Show InChI InChI=1S/C22H24N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h1,3-5,7-8,11,13-14,20,23,25H,2,6,9-10,12,15H2
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061662
PNG
(2-{[3-(2-Amino-pyrimidin-4-yloxy)-propylamino]-met...)
Show SMILES Nc1nccc(OCCCNCC2CCc3ccc(O)cc3O2)n1
Show InChI InChI=1S/C17H22N4O3/c18-17-20-8-6-16(21-17)23-9-1-7-19-11-14-5-3-12-2-4-13(22)10-15(12)24-14/h2,4,6,8,10,14,19,22H,1,3,5,7,9,11H2,(H2,18,20,21)
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061638
PNG
(2-[(3-Phenoxy-propylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO3/c21-16-9-7-15-8-10-18(23-19(15)13-16)14-20-11-4-12-22-17-5-2-1-3-6-17/h1-3,5-7,9,13,18,20-21H,4,8,10-12,14H2
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50071855
PNG
(4-(4-Benzyl-piperazin-1-yl)-2-trifluoromethyl-1H-b...)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)
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 0.510n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]-quinpirole

Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
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