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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50035267   
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
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))
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(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
D(3) dopamine receptor


(Homo sapiens (Human))
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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1n/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
D(2) dopamine receptor


(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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1.90n/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(3) dopamine receptor


(Homo sapiens (Human))
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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2.40n/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
D(3) dopamine receptor


(Homo sapiens (Human))
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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2.40n/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
D(2) 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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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
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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3.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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))
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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4.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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


(Homo sapiens (Human))
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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5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50109024
PNG
((S)-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-/m0/s1
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5.5n/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))
BDBM50109019
PNG
(Benzyl-(2-trifluoromethyl-3,6,7,8-tetrahydro-chrom...)
Show SMILES FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C19H18F3N3O/c20-19(21,22)18-24-15-9-7-13-6-8-14(26-17(13)16(15)25-18)11-23-10-12-4-2-1-3-5-12/h1-5,7,9,14,23H,6,8,10-11H2,(H,24,25)
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5.80n/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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5.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(4) 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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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(2) dopamine receptor


(Homo sapiens (Human))
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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9.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(2) dopamine receptor


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(4) dopamine receptor


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(3) dopamine receptor


(Homo sapiens (Human))
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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34n/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
D(2) dopamine receptor


(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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36n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109019
PNG
(Benzyl-(2-trifluoromethyl-3,6,7,8-tetrahydro-chrom...)
Show SMILES FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C19H18F3N3O/c20-19(21,22)18-24-15-9-7-13-6-8-14(26-17(13)16(15)25-18)11-23-10-12-4-2-1-3-5-12/h1-5,7,9,14,23H,6,8,10-11H2,(H,24,25)
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37n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50109019
PNG
(Benzyl-(2-trifluoromethyl-3,6,7,8-tetrahydro-chrom...)
Show SMILES FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C19H18F3N3O/c20-19(21,22)18-24-15-9-7-13-6-8-14(26-17(13)16(15)25-18)11-23-10-12-4-2-1-3-5-12/h1-5,7,9,14,23H,6,8,10-11H2,(H,24,25)
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65n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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


(Homo sapiens (Human))
BDBM50109024
PNG
((S)-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-/m0/s1
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67n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50109024
PNG
((S)-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-/m0/s1
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68n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


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


BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109024
PNG
((S)-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-/m0/s1
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81n/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
D(2) dopamine receptor


(Homo sapiens (Human))
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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107n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(4) dopamine receptor


(Homo sapiens (Human))
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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116n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50109019
PNG
(Benzyl-(2-trifluoromethyl-3,6,7,8-tetrahydro-chrom...)
Show SMILES FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C19H18F3N3O/c20-19(21,22)18-24-15-9-7-13-6-8-14(26-17(13)16(15)25-18)11-23-10-12-4-2-1-3-5-12/h1-5,7,9,14,23H,6,8,10-11H2,(H,24,25)
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132n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S 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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109019
PNG
(Benzyl-(2-trifluoromethyl-3,6,7,8-tetrahydro-chrom...)
Show SMILES FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
Show InChI InChI=1S/C19H18F3N3O/c20-19(21,22)18-24-15-9-7-13-6-8-14(26-17(13)16(15)25-18)11-23-10-12-4-2-1-3-5-12/h1-5,7,9,14,23H,6,8,10-11H2,(H,24,25)
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263n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109024
PNG
((S)-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-/m0/s1
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313n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(4) dopamine receptor


(Homo sapiens (Human))
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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359n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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
D(4) dopamine receptor


(Homo sapiens (Human))
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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2.17E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 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