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Compile Data Set for Download or QSAR

Found 596 hits with Last Name = 'stepan' and Initial = 'af'   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448144
PNG
(CHEMBL3122212)
Show SMILES Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240887
PNG
(CHEMBL4066731)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1
Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1
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Article
PubMed
1n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448157
PNG
(CHEMBL3122215)
Show SMILES Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3
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PubMed
1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240900
PNG
(CHEMBL4091620)
Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12
Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448161
PNG
(CHEMBL3122210)
Show SMILES Cn1nc(-c2cccnc2)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3
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PubMed
2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448159
PNG
(CHEMBL3122213)
Show SMILES Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240888
PNG
(CHEMBL4094256)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1
Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1
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3n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240881
PNG
(CHEMBL4090712)
Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240885
PNG
(CHEMBL4064010)
Show SMILES O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12
Show InChI InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2/t19-/m1/s1
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PubMed
3.80n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240890
PNG
(CHEMBL4078647)
Show SMILES Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1
Show InChI InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2
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4n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448149
PNG
(CHEMBL3122224)
Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3
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4.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448163
PNG
(CHEMBL3122208)
Show SMILES Cn1nc(-c2ccccn2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240884
PNG
(CHEMBL4085572)
Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1
Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1
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PubMed
5.5n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240882
PNG
(CHEMBL4063837)
Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12
Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
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PubMed
6.10n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448162
PNG
(CHEMBL3122209)
Show SMILES Cn1nc(-c2cccnc2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H15N5O/c1-23-18-15(17(22-23)13-5-4-9-19-11-13)7-8-16(21-18)24-12-14-6-2-3-10-20-14/h2-11H,12H2,1H3
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6.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448158
PNG
(CHEMBL3122214)
Show SMILES Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448150
PNG
(CHEMBL3122225)
Show SMILES C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C19H21N5O2/c1-13-6-5-11-24(13)19(25)17-15-8-9-16(21-18(15)23(2)22-17)26-12-14-7-3-4-10-20-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448154
PNG
(CHEMBL3122218)
Show SMILES CCn1nc(-c2cnccc2C)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C19H18N6O/c1-3-25-19-18(17(24-25)15-10-20-9-7-13(15)2)22-11-16(23-19)26-12-14-6-4-5-8-21-14/h4-11H,3,12H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240879
PNG
(CHEMBL4089073)
Show SMILES Clc1cccc(COc2cc(=O)n3ccccc3n2)c1
Show InChI InChI=1S/C15H11ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h1-9H,10H2
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7n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448148
PNG
(CHEMBL3122223)
Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
Show InChI InChI=1S/C19H23N5O2/c1-5-24(6-2)19(25)17-15-10-11-16(21-18(15)23(4)22-17)26-12-14-9-7-8-13(3)20-14/h7-11H,5-6,12H2,1-4H3
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7.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448155
PNG
(CHEMBL3122217)
Show SMILES Cc1c(cnn1C)-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C17H17N7O/c1-11-13(8-20-23(11)2)15-16-17(24(3)22-15)21-14(9-19-16)25-10-12-6-4-5-7-18-12/h4-9H,10H2,1-3H3
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8.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240889
PNG
(CHEMBL4086495)
Show SMILES Clc1cccc(COc2cc(=O)n3CCCCc3n2)c1
Show InChI InChI=1S/C15H15ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h3-5,8-9H,1-2,6-7,10H2
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10n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448153
PNG
(CHEMBL3122219)
Show SMILES Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C20H18N6O/c1-13-7-9-21-10-16(13)18-19-20(26(25-18)15-5-6-15)24-17(11-23-19)27-12-14-4-2-3-8-22-14/h2-4,7-11,15H,5-6,12H2,1H3
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240894
PNG
(CHEMBL4101988)
Show SMILES O=c1cc(OCc2ccccn2)nc2COC[C@@H](Cc3ccccc3)n12
Show InChI InChI=1S/C20H19N3O3/c24-20-11-19(26-12-16-8-4-5-9-21-16)22-18-14-25-13-17(23(18)20)10-15-6-2-1-3-7-15/h1-9,11,17H,10,12-14H2/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448160
PNG
(CHEMBL3122211)
Show SMILES Cc1cccnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H16N6O/c1-12-6-5-9-20-15(12)16-17-18(24(2)23-16)22-14(10-21-17)25-11-13-7-3-4-8-19-13/h3-10H,11H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448164
PNG
(CHEMBL3122207)
Show SMILES Cn1nc(-c2ccccc2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C19H16N4O/c1-23-19-16(18(22-23)14-7-3-2-4-8-14)10-11-17(21-19)24-13-15-9-5-6-12-20-15/h2-12H,13H2,1H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240883
PNG
(CHEMBL4099357)
Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12
Show InChI InChI=1S/C17H21N3O3/c1-12(2)7-14-10-22-11-15-19-16(8-17(21)20(14)15)23-9-13-5-3-4-6-18-13/h3-6,8,12,14H,7,9-11H2,1-2H3/t14-/m1/s1
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15n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240886
PNG
(CHEMBL4077717)
Show SMILES Cc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1
Show InChI InChI=1S/C21H21N3O3/c1-15-6-5-9-17(22-15)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-16-7-3-2-4-8-16/h2-9,11,18H,10,12-14H2,1H3/t18-/m1/s1
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16n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448156
PNG
(CHEMBL3122216)
Show SMILES Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C17H15N7O/c1-11-6-8-20-22-14(11)15-16-17(24(2)23-15)21-13(9-19-16)25-10-12-5-3-4-7-18-12/h3-9H,10H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240876
PNG
(CHEMBL4104387)
Show SMILES Clc1cccc(COc2cc(=O)n3CCOCc3n2)c1
Show InChI InChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(6-11)8-20-13-7-14(18)17-4-5-19-9-12(17)16-13/h1-3,6-7H,4-5,8-9H2
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27n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240878
PNG
(CHEMBL4096663)
Show SMILES Cc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)n1
Show InChI InChI=1S/C20H16N4O3/c1-14-4-2-5-15(22-14)13-26-19-10-20(25)24-12-17(7-8-18(24)23-19)27-16-6-3-9-21-11-16/h2-12H,13H2,1H3
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31n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448152
PNG
(CHEMBL3122221)
Show SMILES CCC(C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
Show InChI InChI=1S/C19H23N5O2/c1-5-12(2)21-19(25)17-15-9-10-16(22-18(15)24(4)23-17)26-11-14-8-6-7-13(3)20-14/h6-10,12H,5,11H2,1-4H3,(H,21,25)
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42n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448147
PNG
(CHEMBL3122222)
Show SMILES CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
Show InChI InChI=1S/C17H19N5O2/c1-4-18-17(23)15-13-8-9-14(20-16(13)22(3)21-15)24-10-12-7-5-6-11(2)19-12/h5-9H,4,10H2,1-3H3,(H,18,23)
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55n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448145
PNG
(CHEMBL3122206)
Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C17H20N6O2/c1-4-23(5-2)17(24)15-14-16(22(3)21-15)20-13(10-19-14)25-11-12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3
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58n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240893
PNG
(CHEMBL4072424)
Show SMILES O=c1cc(OCCC2CC2)nc2COC[C@@H](Cc3ccccc3)n12
Show InChI InChI=1S/C19H22N2O3/c22-19-11-18(24-9-8-14-6-7-14)20-17-13-23-12-16(21(17)19)10-15-4-2-1-3-5-15/h1-5,11,14,16H,6-10,12-13H2/t16-/m1/s1
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98n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448151
PNG
(CHEMBL3122226)
Show SMILES Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H19N5O3/c1-22-17-14(16(21-22)18(24)23-8-10-25-11-9-23)5-6-15(20-17)26-12-13-4-2-3-7-19-13/h2-7H,8-12H2,1H3
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114n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240880
PNG
(CHEMBL4060880)
Show SMILES O=c1cc(SCc2ccccn2)nc2ccccn12
Show InChI InChI=1S/C14H11N3OS/c18-14-9-13(16-12-6-2-4-8-17(12)14)19-10-11-5-1-3-7-15-11/h1-9H,10H2
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194n/an/an/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448146
PNG
(CHEMBL3122205)
Show SMILES Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1
Show InChI InChI=1S/C19H18N6O3/c1-12-9-14(28-24-12)10-21-19(26)17-15-6-7-16(22-18(15)25(2)23-17)27-11-13-5-3-4-8-20-13/h3-9H,10-11H2,1-2H3,(H,21,26)
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899n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50240888
PNG
(CHEMBL4094256)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1
Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 expressed in HEK293 cells assessed as inhibition of glutamate-induced intracellular calcium accumulation ...


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059318
PNG
(CHEMBL3393356 | US9156845, 78)
Show SMILES Fc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
Show InChI InChI=1S/C17H14FN5O/c18-15-11(8-19)2-1-3-12(15)13-9-20-16-14(13)17(22-10-21-16)23-4-6-24-7-5-23/h1-3,9-10H,4-7H2,(H,20,21,22)
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US Patent
n/an/a 2n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 3n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193022
PNG
(US9193726, 10)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(c(F)c1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23F5N4O3/c1-13-11-32(12-31-13)18-3-4-19-24(36)33(7-8-34(19)23(18)35)14(2)20-5-6-21(37-20)15-9-16(26)22(17(27)10-15)25(28,29)30/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
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n/an/a 3.34n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)


BindingDB Entry DOI: 10.7270/Q22B8WT7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059301
PNG
(CHEMBL3393346 | US9156845, 5)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C15H13N5/c1-20(2)15-13-12(8-17-14(13)18-9-19-15)11-5-3-4-10(6-11)7-16/h3-6,8-9H,1-2H3,(H,17,18,19)
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n/an/a 5n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193067
PNG
(US9193726, 55)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)c(F)c1)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H23ClF2N4O3/c1-13-11-29(12-28-13)18-3-4-19-24(33)30(7-8-31(19)23(18)32)14(2)20-5-6-21(34-20)15-9-16(26)22(25)17(27)10-15/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
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n/an/a 5.48n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)


BindingDB Entry DOI: 10.7270/Q22B8WT7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50240884
PNG
(CHEMBL4085572)
Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1
Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 expressed in HEK293 cells assessed as inhibition of glutamate-induced intracellular calcium accumulation ...


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193079
PNG
(US9193726, 67)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)c(Cl)c1)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H23Cl2FN4O3/c1-13-11-29(12-28-13)18-3-4-19-24(33)30(7-8-31(19)23(18)32)14(2)20-5-6-21(34-20)15-9-16(25)22(26)17(27)10-15/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
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n/an/a 5.78n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)


BindingDB Entry DOI: 10.7270/Q22B8WT7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50096851
PNG
(CHEMBL3580774)
Show SMILES C[C@@H](COc1ccc(F)cc1[C@@H](C)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H24F4N4O3/c1-14-11-30(13-29-14)19-5-6-20-23(34)31(8-9-32(20)22(19)33)15(2)12-35-21-7-4-17(25)10-18(21)16(3)24(26,27)28/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production...


ACS Med Chem Lett 6: 596-601 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101747
PNG
(CHEMBL3394946)
Show SMILES C[C@H](N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)c1cn(C)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-14-11-30(13-28-14)20-6-7-21-23(34)31(8-9-32(21)22(20)33)15(2)18-12-29(3)19-5-4-16(10-17(18)19)24(25,26)27/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50240900
PNG
(CHEMBL4091620)
Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12
Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Neuroscience and Pain Medicinal Chemistry,?Pharmacokinetics, Dynamics, and Metabolism, andžNeuroscience and Pain Research Unit, Pfizer Inc. , Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 expressed in HEK293 cells assessed as inhibition of glutamate-induced intracellular calcium accumulation ...


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
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n/an/a 6n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
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