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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'faraci' and Initial = 'ws'   
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
Prolyl endopeptidase


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1
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2.40n/an/an/an/a 0.000300 1.40E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-Try0-o-Corticotropin-releasing Factor to Corticotropin releasing hormone receptor 1 from ovine


J Med Chem 40: 1749-54 (1997)


Article DOI: 10.1021/jm960861b
BindingDB Entry DOI: 10.7270/Q2SJ1JQP
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
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/a 0.00200 7.00E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1
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3n/an/an/an/a 0.000700 2.30E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50081081
PNG
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)
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3n/an/an/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 9: 2569-72 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50081081
PNG
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)
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11n/an/an/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Binding ability of compound to human Dopamine receptor D2


Bioorg Med Chem Lett 9: 2569-72 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081081
PNG
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 9: 2569-72 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XRP
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50081082
PNG
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)
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320n/an/an/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Binding affinity of compound to m2 muscarinic receptor


Bioorg Med Chem Lett 9: 2569-72 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50081082
PNG
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)
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590n/an/an/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Binding ability of compound to m4 muscarinic receptor


Bioorg Med Chem Lett 9: 2569-72 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XRP
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
CRF2 Beta


(RAT)
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-Tyr0-sauvagine to Corticotropin releasing hormone receptor 2 (CRF2)


J Med Chem 40: 1749-54 (1997)


Article DOI: 10.1021/jm960861b
BindingDB Entry DOI: 10.7270/Q2SJ1JQP
More data for this
Ligand-Target Pair
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