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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'jackson' and Initial = 'er'   
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


(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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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=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
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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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 |t:8|
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


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 |t:8|
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)


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=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
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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)


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)


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)


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)


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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(4) 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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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)


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)


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)


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)


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)


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)


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)


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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(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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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D3 dopamine receptor in CHO cells using [3H]-spiperone


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


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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>3.31E+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)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
PDB
MMDB

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n/an/a 0.770n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50280461
PNG
(((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:10.10,17.20,(8.22,1.05,;9.53,1.84,;10.88,1.07,;12.19,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14.01,-4.67,;12.91,-3.59,;11.42,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.51,;10.83,-9.75,;10.85,-8.21,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002654
PNG
((2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-eth...)
Show SMILES CCOc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:11.11,18.21,(1.66,-3.62,;2.99,-4.39,;2.99,-5.93,;4.32,-6.7,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;-1,-11.3,;-1,-12.84,;.33,-13.61,;-.25,-12.62,;1.08,-11.86,;1.66,-12.84,;2.99,-13.61,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;2.99,-15.15,;4.32,-15.92,;4.32,-17.46,;2.99,-18.23,;1.64,-17.46,;1.64,-15.92,)|
Show InChI InChI=1S/C29H34N2O/c1-2-32-26-16-10-9-15-25(26)21-30-28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002660
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(8.36,4.94,;8.17,3.4,;6.82,2.63,;5.49,3.41,;6.26,2.08,;5.16,1,;5.49,.33,;4.18,1.09,;4.18,2.63,;6.82,1.09,;8.17,.32,;9.5,1.09,;9.5,2.63,;10.83,3.4,;12.16,2.63,;12.16,1.09,;10.83,.32,;8.15,-1.22,;6.82,-1.98,;6.82,-3.52,;8.15,-4.29,;9.5,-3.52,;9.48,-1.98,;9.78,5.52,;9.99,7.04,;11.41,7.61,;12.63,6.69,;12.44,5.17,;11.01,4.57,)|
Show InChI InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002655
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(2.99,-4.39,;2.99,-5.93,;4.32,-6.7,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;4.32,-15.92,;4.32,-17.46,;2.99,-18.23,;1.64,-17.46,;1.64,-15.92,;4.53,-13.61,;5.28,-12.28,;6.82,-12.28,;7.61,-13.61,;6.84,-14.94,;5.3,-14.94,)|
Show InChI InChI=1S/C29H34N2/c1-2-22-11-9-10-16-26(22)21-30-28-25-17-19-31(20-18-25)29(28)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,25,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002659
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.32,-3.62,;5.65,-4.39,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;4.32,-17.46,;4.32,-15.92,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;4.32,-6.7,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-14-8-9-21(19-25)20-29-27-24-15-17-30(18-16-24)28(27)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,24,26-29H,15-18,20H2,1H3/t27-,28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002649
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES Clc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:9.9,16.19,(9.8,6.67,;10.58,5.34,;11.99,5.92,;13.21,4.99,;13.02,3.45,;11.6,2.86,;10.37,3.82,;8.94,3.22,;8.75,1.7,;7.4,.93,;6.07,1.7,;4.76,.93,;4.76,-.61,;6.07,-1.38,;5.75,-.71,;6.84,.37,;7.4,-.61,;8.75,-1.38,;10.08,-.61,;11.41,-1.38,;12.75,-.61,;12.75,.93,;11.41,1.7,;10.08,.93,;8.73,-2.92,;7.4,-3.69,;7.4,-5.23,;8.73,-6,;10.08,-5.23,;10.06,-3.69,)|
Show InChI InChI=1S/C27H29ClN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002653
PNG
(((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002658
PNG
(CHEMBL86746 | {2-[Bis-(4-chloro-phenyl)-methyl]-1-...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |wD:10.10,17.20,(1.66,-6.7,;2.99,-5.93,;4.32,-6.7,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;-1,-11.3,;-1,-12.84,;.33,-13.61,;-.25,-12.62,;1.08,-11.86,;1.66,-12.84,;2.99,-13.61,;4.53,-13.61,;5.28,-12.28,;6.82,-12.28,;7.61,-13.61,;9.15,-13.61,;6.84,-14.94,;5.3,-14.94,;2.99,-15.15,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;2.97,-19.77,;4.32,-17.46,;4.32,-15.92,)|
Show InChI InChI=1S/C28H30Cl2N2O/c1-33-25-5-3-2-4-22(25)18-31-27-21-14-16-32(17-15-21)28(27)26(19-6-10-23(29)11-7-19)20-8-12-24(30)13-9-20/h2-13,21,26-28,31H,14-18H2,1H3/t27-,28-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002661
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES CNc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(3.01,3.61,;4.32,4.38,;5.68,3.61,;7.01,4.38,;8.35,3.61,;8.34,2.07,;7.01,1.3,;5.68,2.07,;4.35,1.32,;4.35,-.24,;3.01,-1.01,;1.66,-.22,;2.43,-1.55,;1.1,-2.32,;1.66,-3.3,;.36,-2.55,;.36,-1.01,;3.01,-2.55,;4.35,-3.32,;4.32,-4.86,;2.99,-5.61,;2.99,-7.15,;4.32,-7.92,;5.68,-7.15,;5.67,-5.61,;5.89,-3.32,;6.65,-4.65,;8.19,-4.65,;8.96,-3.32,;8.17,-1.97,;6.63,-1.99,)|
Show InChI InChI=1S/C28H33N3/c1-29-25-15-9-8-14-24(25)20-30-27-23-16-18-31(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-30H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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n/an/a 150n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 2A receptor in CHO cells


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


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
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