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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'zorn' and Initial = 'sh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.710n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.840n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069035
PNG
((7R,9aS)-7-Phenoxymethyl-2-phenyl-octahydro-pyrido...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-3-7-19(8-4-1)23-14-13-22-15-18(11-12-20(22)16-23)17-24-21-9-5-2-6-10-21/h1-10,18,20H,11-17H2/t18-,20+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50069036
PNG
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069037
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyridin-2-yl-octahydro-...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccn1
Show InChI InChI=1S/C20H25N3O/c1-2-6-19(7-3-1)24-16-17-9-10-18-15-23(13-12-22(18)14-17)20-8-4-5-11-21-20/h1-8,11,17-18H,9-10,12-16H2/t17-,18+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069039
PNG
((7S,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069048
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-pyrimidin-2-...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C19H23FN4O/c20-16-3-6-18(7-4-16)25-14-15-2-5-17-13-24(11-10-23(17)12-15)19-21-8-1-9-22-19/h1,3-4,6-9,15,17H,2,5,10-14H2/t15-,17+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048806
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048807
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C23H26N4OS/c1-23(2)18-15-16(7-8-19(18)24-22(23)28)9-10-26-11-13-27(14-12-26)21-17-5-3-4-6-20(17)29-25-21/h3-8,15H,9-14H2,1-2H3,(H,24,28)
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3.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069034
PNG
((7R,9aS)-2-(5-Chloro-pyridin-2-yl)-7-(4-fluoro-phe...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C20H23ClFN3O/c21-16-2-8-20(23-11-16)25-10-9-24-12-15(1-5-18(24)13-25)14-26-19-6-3-17(22)4-7-19/h2-4,6-8,11,15,18H,1,5,9-10,12-14H2/t15-,18+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.30n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069041
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069047
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048804
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc2N1
Show InChI InChI=1S/C21H22N4OS/c26-20-14-16-13-15(5-6-18(16)22-20)7-8-24-9-11-25(12-10-24)21-17-3-1-2-4-19(17)27-23-21/h1-6,13H,7-12,14H2,(H,22,26)
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3.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069038
PNG
(7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[...)
Show SMILES C(Oc1ccccc1)C1CCC2CN(CCN2C1)c1ncccn1
Show InChI InChI=1/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2
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3.80n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069036
PNG
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048805
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES Fc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21FN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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4.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048802
PNG
(5'-[2-(4-benzo[d]isothiazol-3-ylhexahydro-1-pyrazi...)
Show SMILES O=C1Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2C11CCCC1
Show InChI InChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)
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4.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048800
PNG
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2s1
Show InChI InChI=1S/C20H20N4OS2/c25-20-21-16-6-5-14(13-18(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-17(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)
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5.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069042
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(4-fluoro-ph...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-17-2-7-19(8-3-17)25-12-11-24-13-16(1-6-20(24)14-25)15-26-21-9-4-18(23)5-10-21/h2-5,7-10,16,20H,1,6,11-15H2/t16-,20+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048801
PNG
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2o1
Show InChI InChI=1S/C20H20N4O2S/c25-20-21-16-6-5-14(13-17(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-18(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069043
PNG
((7R,9aS)-7-(4-Methoxy-phenoxymethyl)-2-pyrimidin-2...)
Show SMILES COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-25-18-5-7-19(8-6-18)26-15-16-3-4-17-14-24(12-11-23(17)13-16)20-21-9-2-10-22-20/h2,5-10,16-17H,3-4,11-15H2,1H3/t16-,17+/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069049
PNG
((7R,9aS)-7-(4-tert-Butyl-phenoxymethyl)-2-pyrimidi...)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C23H32N4O/c1-23(2,3)19-6-9-21(10-7-19)28-17-18-5-8-20-16-27(14-13-26(20)15-18)22-24-11-4-12-25-22/h4,6-7,9-12,18,20H,5,8,13-17H2,1-3H3/t18-,20+/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069036
PNG
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1
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38n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069044
PNG
((7R,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m1/s1
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39n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069035
PNG
((7R,9aS)-7-Phenoxymethyl-2-phenyl-octahydro-pyrido...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-3-7-19(8-4-1)23-14-13-22-15-18(11-12-20(22)16-23)17-24-21-9-5-2-6-10-21/h1-10,18,20H,11-17H2/t18-,20+/m1/s1
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44n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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45n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace [3H]-ketanserin from 5-hydroxytryptamine 2A receptor in rat brain.


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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47n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069036
PNG
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1
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66n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069039
PNG
((7S,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m0/s1
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68n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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83n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069045
PNG
((7S,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m0/s1
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106n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069046
PNG
(4-((7R,9aS)-2-Pyrimidin-2-yl-octahydro-pyrido[1,2-...)
Show SMILES COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C21H26N4O3/c1-27-20(26)17-4-7-19(8-5-17)28-15-16-3-6-18-14-25(12-11-24(18)13-16)21-22-9-2-10-23-21/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3/t16-,18+/m1/s1
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127n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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155n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069038
PNG
(7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[...)
Show SMILES C(Oc1ccccc1)C1CCC2CN(CCN2C1)c1ncccn1
Show InChI InChI=1/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2
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185n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069037
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyridin-2-yl-octahydro-...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccn1
Show InChI InChI=1S/C20H25N3O/c1-2-6-19(7-3-1)24-16-17-9-10-18-15-23(13-12-22(18)14-17)20-8-4-5-11-21-20/h1-8,11,17-18H,9-10,12-16H2/t17-,18+/m1/s1
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187n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069045
PNG
((7S,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m0/s1
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195n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069042
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(4-fluoro-ph...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-17-2-7-19(8-3-17)25-12-11-24-13-16(1-6-20(24)14-25)15-26-21-9-4-18(23)5-10-21/h2-5,7-10,16,20H,1,6,11-15H2/t16-,20+/m1/s1
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206n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069046
PNG
(4-((7R,9aS)-2-Pyrimidin-2-yl-octahydro-pyrido[1,2-...)
Show SMILES COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C21H26N4O3/c1-27-20(26)17-4-7-19(8-5-17)28-15-16-3-6-18-14-25(12-11-24(18)13-16)21-22-9-2-10-23-21/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3/t16-,18+/m1/s1
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254n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069040
PNG
(CHEMBL161899 | N-[4-((7R,9aS)-2-Pyrimidin-2-yl-oct...)
Show SMILES CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)24-18-4-7-20(8-5-18)28-15-17-3-6-19-14-26(12-11-25(19)13-17)21-22-9-2-10-23-21/h2,4-5,7-10,17,19H,3,6,11-15H2,1H3,(H,24,27)/t17-,19+/m1/s1
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316n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069043
PNG
((7R,9aS)-7-(4-Methoxy-phenoxymethyl)-2-pyrimidin-2...)
Show SMILES COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-25-18-5-7-19(8-6-18)26-15-16-3-4-17-14-24(12-11-23(17)13-16)20-21-9-2-10-22-20/h2,5-10,16-17H,3-4,11-15H2,1H3/t16-,17+/m1/s1
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918n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069040
PNG
(CHEMBL161899 | N-[4-((7R,9aS)-2-Pyrimidin-2-yl-oct...)
Show SMILES CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)24-18-4-7-20(8-5-18)28-15-17-3-6-19-14-26(12-11-25(19)13-17)21-22-9-2-10-23-21/h2,4-5,7-10,17,19H,3,6,11-15H2,1H3,(H,24,27)/t17-,19+/m1/s1
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948n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069044
PNG
((7R,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m1/s1
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980n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069047
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069048
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-pyrimidin-2-...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C19H23FN4O/c20-16-3-6-18(7-4-16)25-14-15-2-5-17-13-24(11-10-23(17)12-15)19-21-8-1-9-22-19/h1,3-4,6-9,15,17H,2,5,10-14H2/t15-,17+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069049
PNG
((7R,9aS)-7-(4-tert-Butyl-phenoxymethyl)-2-pyrimidi...)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C23H32N4O/c1-23(2,3)19-6-9-21(10-7-19)28-17-18-5-8-20-16-27(14-13-26(20)15-18)22-24-11-4-12-25-22/h4,6-7,9-12,18,20H,5,8,13-17H2,1-3H3/t18-,20+/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069034
PNG
((7R,9aS)-2-(5-Chloro-pyridin-2-yl)-7-(4-fluoro-phe...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C20H23ClFN3O/c21-16-2-8-20(23-11-16)25-10-9-24-12-15(1-5-18(24)13-25)14-26-19-6-3-17(22)4-7-19/h2-4,6-8,11,15,18H,1,5,9-10,12-14H2/t15-,18+/m1/s1
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1.88E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00108-5
BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
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